1-benzyl-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

1-benzyl-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

CAS: 1227954-87-1

Formula: C15H14F3N3O

SMILES: CC1=NC(=CC=C1NC(=O)NCC1=CC=CC=C1)C(F)(F)F

IUPAC: 1-benzyl-3-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]urea

InChI: InChI=1S/C15H14F3N3O/c1-10-12(7-8-13(20-10)15(16,17)18)21-14(22)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,19,21,22)

Composition: C (58.25%), H (4.56%), F (18.43%), N (13.59%), O (5.17%)

Molar Mass: 309.292

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	309.108896572
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YCDFMUAMKSYFQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.14
Topological Polar Surface Area	54.02
Polarizability	27.91
Ring Count	2
Rotatable Bond Count	4

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