1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea

C16H13ClF4N2O2 — CID 166264320

IUPAC1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(Nc1cccc(Cl)c1F)NC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF4N2O2/c17-11-5-2-6-12(14(11)18)22-15(25)23-13(8-24)9-3-1-4-10(7-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25)
InChIKeyXJYZUOBMDOHJMM-UHFFFAOYSA-N
MW376.74 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 166264320) has the molecular formula C16H13ClF4N2O2 and a molecular weight of 376.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID166264320
Molecular FormulaC16H13ClF4N2O2
Molecular Weight376.74 g/mol
Exact Mass376.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(Nc1cccc(Cl)c1F)NC(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF4N2O2/c17-11-5-2-6-12(14(11)18)22-15(25)23-13(8-24)9-3-1-4-10(7-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25)
InChIKeyXJYZUOBMDOHJMM-UHFFFAOYSA-N
XLogP4.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.74
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566306
N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 159006341
1-(2-bicyclo[2.1.1]hexanyl)-3-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 170133869
1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 162524368
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
(2S)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61194258
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348008
(2R)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927583
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 166264320) is 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea is O=C(Nc1cccc(Cl)c1F)NC(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is XJYZUOBMDOHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O2/c17-11-5-2-6-12(14(11)18)22-15(25)23-13(8-24)9-3-1-4-10(7-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 376.74 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 166264320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).