4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzamide

4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzamide

Formula: C13H10ClF3N4O

SMILES: CNC(=O)C1=CC=C(NC2=NC=C(C(Cl)=N2)C(F)(F)F)C=C1

IUPAC: 4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzamide

InChI: InChI=1S/C13H10ClF3N4O/c1-18-11(22)7-2-4-8(5-3-7)20-12-19-6-9(10(14)21-12)13(15,16)17/h2-6H,1H3,(H,18,22)(H,19,20,21)

Composition: C (47.22%), H (3.05%), Cl (10.72%), F (17.23%), N (16.94%), O (4.84%)

Molar Mass: 330.7

Atom Count: 32

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	330.0495231
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IJEBTSOYCUVHFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.97
Topological Polar Surface Area	66.91
Polarizability	27.22
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H10ClF3N4O		Quote Only