1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

CAS: 945321-32-4

Formula: C11H10ClFN2O2

SMILES: NC(=O)C1CN(C(=O)C1)C1=CC(Cl)=C(F)C=C1

IUPAC: 1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

InChI: InChI=1/C11H10ClFN2O2/c12-8-4-7(1-2-9(8)13)15-5-6(11(14)17)3-10(15)16/h1-2,4,6H,3,5H2,(H2,14,17)

Composition: C (51.48%), H (3.93%), Cl (13.81%), F (7.40%), N (10.91%), O (12.47%)

Molar Mass: 256.66

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	256.0414834
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QUPQKQZKXIKXCO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.86
Topological Polar Surface Area	63.4
Polarizability	22.94
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	945321-32-4		$51.35-$86.31$51.35$63.37$86.31