3-[(4-chlorophenyl)methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)-1-[3-(trifluoromethyl)phenyl]urea

3-[(4-chlorophenyl)methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)-1-[3-(trifluoromethyl)phenyl]urea

CAS: 478248-81-6

Formula: C18H15ClF6N2O2

SMILES: OC(CN(CC1=CC=C(Cl)C=C1)C(=O)NC1=CC(=CC=C1)C(F)(F)F)C(F)(F)F

IUPAC: 3-[(4-chlorophenyl)methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)-1-[3-(trifluoromethyl)phenyl]urea

InChI: InChI=1/C18H15ClF6N2O2/c19-13-6-4-11(5-7-13)9-27(10-15(28)18(23,24)25)16(29)26-14-3-1-2-12(8-14)17(20,21)22/h1-8,15,28H,9-10H2,(H,26,29)

Composition: C (49.05%), H (3.43%), Cl (8.04%), F (25.86%), N (6.36%), O (7.26%)

Molar Mass: 440.77

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	440.0726244
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DIWXLDADNWFYOC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.19
Topological Polar Surface Area	52.57
Polarizability	34.71
Ring Count	2
Rotatable Bond Count	7

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