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

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

CAS: 1164471-74-2

Formula: C15H13ClN4O

SMILES: ClC1=CC=C(NC=C2CCN(C2=O)C2=NC=CC=N2)C=C1

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

InChI: InChI=1S/C15H13ClN4O/c16-12-2-4-13(5-3-12)19-10-11-6-9-20(14(11)21)15-17-7-1-8-18-15/h1-5,7-8,10,19H,6,9H2

Composition: C (59.91%), H (4.36%), Cl (11.79%), N (18.63%), O (5.32%)

Molar Mass: 300.75

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.0777888
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IKAZGXGHKFOFAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.69
Topological Polar Surface Area	58.12
Polarizability	30.58
Ring Count	3
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1164471-74-2		$51.35-$86.31$51.35$63.37$86.31