4-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

CAS: 439111-54-3

Formula: C20H17FN2O3

SMILES: COC1=CC=C(CNC(=O)C2=CC(=CN2)C(=O)C2=CC=C(F)C=C2)C=C1

IUPAC: 4-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C20H17FN2O3/c1-26-17-8-2-13(3-9-17)11-23-20(25)18-10-15(12-22-18)19(24)14-4-6-16(21)7-5-14/h2-10,12,22H,11H2,1H3,(H,23,25)

Composition: C (68.17%), H (4.86%), F (5.39%), N (7.95%), O (13.62%)

Molar Mass: 352.365

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	352.122320578
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HKGIZSICKDKUGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.54
Topological Polar Surface Area	71.19
Polarizability	36.14
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	439111-54-3		$51.35-$524.40$51.35$63.37$86.31$524.40