N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

CAS: 478249-64-8

Formula: C13H11F3N2O

SMILES: FC(F)(F)C1=CC(CNC(=O)C2=CC=CN2)=CC=C1

IUPAC: N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-1-3-9(7-10)8-18-12(19)11-5-2-6-17-11/h1-7,17H,8H2,(H,18,19)

Composition: C (58.21%), H (4.13%), F (21.25%), N (10.44%), O (5.96%)

Molar Mass: 268.239

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.082347471
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	YRBRQMOTEHVYKW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.26
Topological Polar Surface Area	44.89
Polarizability	23.43
Ring Count	2
Rotatable Bond Count	4

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