1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

CAS: 54528-11-9

Formula: C14H12F3N3O

SMILES: FC(F)(F)C1=CC=C(NC(=O)NCC2=CN=CC=C2)C=C1

IUPAC: 1-[(pyridin-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea

InChI: InChI=1S/C14H12F3N3O/c15-14(16,17)11-3-5-12(6-4-11)20-13(21)19-9-10-2-1-7-18-8-10/h1-8H,9H2,(H2,19,20,21)

Composition: C (56.95%), H (4.10%), F (19.30%), N (14.23%), O (5.42%)

Molar Mass: 295.265

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.093246507
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RSBVGGSSKOKYEK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.92
Topological Polar Surface Area	54.02
Polarizability	26.16
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	54528-11-9		$51.35-$86.31$51.35$63.37$86.31