[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea

C14H11F3N2O2 — CID 11716321

IUPAC[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-8(2-5-10)9-3-6-11(12(20)7-9)19-13(18)21/h1-7,20H,(H3,18,19,21)
InChIKeyAMUJAORMKQKFHI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.57
Rot. Bonds2

About [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea

[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea (PubChem CID 11716321) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea.

Molecular Properties

Compound Name[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
PubChem CID11716321
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-8(2-5-10)9-3-6-11(12(20)7-9)19-13(18)21/h1-7,20H,(H3,18,19,21)
InChIKeyAMUJAORMKQKFHI-UHFFFAOYSA-N
XLogP3.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
[2-fluoro-4-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 175722591
2-[3-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 23130330
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 53220126
[2-deuterio-4-(trifluoromethyl)phenyl]urea
CID 175995266
tert-butyl N-[2-[(4-methylsulfanylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 170184561
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The IUPAC name of [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea (CID 11716321) is [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea.
What is the SMILES notation for [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The canonical SMILES for [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea is NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
The InChIKey is AMUJAORMKQKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-8(2-5-10)9-3-6-11(12(20)7-9)19-13(18)21/h1-7,20H,(H3,18,19,21).
What are the key properties of [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea?
[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea has a molecular weight of 296.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea is sourced from PubChem (CID 11716321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).