2-{2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-1,3-benzodiazole-4-carboxamide

2-{2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-1,3-benzodiazole-4-carboxamide

CAS: 934162-61-5

Formula: C18H17FN4O

SMILES: NC(=O)C1=C2N=C(NC2=CC=C1)C1=CC=C(C=C1F)[C@@H]1CCCN1

IUPAC: 2-{2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-1,3-benzodiazole-4-carboxamide

InChI: InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1

Composition: C (66.65%), H (5.28%), F (5.86%), N (17.27%), O (4.93%)

Molar Mass: 324.359

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	324.138639346
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	AHIVQGOUBLVTCB-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.82
Topological Polar Surface Area	83.8
Polarizability	35.56
Ring Count	4
Rotatable Bond Count	3

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