1-(4-chlorophenyl)-3-{[(4-fluorophenyl)amino]methylidene}pyrrolidin-2-one

1-(4-chlorophenyl)-3-{[(4-fluorophenyl)amino]methylidene}pyrrolidin-2-one

CAS: 339020-59-6

Formula: C17H14ClFN2O

SMILES: FC1=CC=C(NC=C2CCN(C2=O)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 1-(4-chlorophenyl)-3-{[(4-fluorophenyl)amino]methylidene}pyrrolidin-2-one

InChI: InChI=1S/C17H14ClFN2O/c18-13-1-7-16(8-2-13)21-10-9-12(17(21)22)11-20-15-5-3-14(19)4-6-15/h1-8,11,20H,9-10H2

Composition: C (64.46%), H (4.46%), Cl (11.19%), F (6.00%), N (8.84%), O (5.05%)

Molar Mass: 316.76

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.0778689
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WOGUHSICVOPWHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.3
Topological Polar Surface Area	32.34
Polarizability	32.03
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	339020-59-6		$51.35-$86.31$51.35$63.37$86.31