4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

CAS: 477852-67-8

Formula: C13H10ClFN2O2

SMILES: CNC(=O)C1=CC(=CN1)C(=O)C1=C(Cl)C=C(F)C=C1

IUPAC: 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C13H10ClFN2O2/c1-16-13(19)11-4-7(6-17-11)12(18)9-3-2-8(15)5-10(9)14/h2-6,17H,1H3,(H,16,19)

Composition: C (55.63%), H (3.59%), Cl (12.63%), F (6.77%), N (9.98%), O (11.40%)

Molar Mass: 280.68

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.0414834
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	GJTBPXUBSCBNNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.27
Topological Polar Surface Area	61.96
Polarizability	26.02
Ring Count	2
Rotatable Bond Count	3

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