1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 111566306

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-11-7-8-13(17(18,19)20)9-14(11)21-16(24)22-15(10-23)12-5-3-2-4-6-12/h2-9,15,23H,10H2,1H3,(H2,21,22,24)
InChIKeyQIVQZRBQMYYAHW-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea (PubChem CID 111566306) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
PubChem CID111566306
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-11-7-8-13(17(18,19)20)9-14(11)21-16(24)22-15(10-23)12-5-3-2-4-6-12/h2-9,15,23H,10H2,1H3,(H2,21,22,24)
InChIKeyQIVQZRBQMYYAHW-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618
1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 166264320
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea (CID 111566306) is 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea is Cc1ccc(C(F)(F)F)cc1NC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is QIVQZRBQMYYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-7-8-13(17(18,19)20)9-14(11)21-16(24)22-15(10-23)12-5-3-2-4-6-12/h2-9,15,23H,10H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 111566306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).