IUPAC Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	446.516583 [g/mol]
Molecular Formula	C26H27FN4O2
XLogP	5
H-Bond Donor	3
H-Bond Acceptor	4
Rotatable Bond Count	6
Tautomer Count	6
Exact Mass	446.211804
MonoIsotopic Mass	446.211804
Topological Polar Surface Area	73.5
Heavy Atom Count	33
Formal Charge	0
Complexity	650
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 5-[(3-fluorophenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]-2-pyrrolidin-
1-ylbenzamide
Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)N4CCCC4
Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)N4CCCC4
InChI: InChI=1/C26H27FN4O2/c1-18(19-8-3-2-4-9-19)28-25(32)23-17-22(12-13-24(23)
31-14-5-6-15-31)30-26(33)29-21-11-7-10-20(27)16-21/h2-4,7-13,16-18H,5-6,
14-15H2,1H3,(H,28,32)(H2,29,30,33)/t18-/m0/s1/f/h28-30H