1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea

C20H15F3N2O2 — CID 22011313

IUPAC1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-10-11-17(18(26)12-14)25-19(27)24-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,26H,(H2,24,25,27)
InChIKeySWIRMXTXRCDCJK-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.72
Rot. Bonds3

About 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea

1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea (PubChem CID 22011313) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
PubChem CID22011313
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-10-11-17(18(26)12-14)25-19(27)24-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,26H,(H2,24,25,27)
InChIKeySWIRMXTXRCDCJK-UHFFFAOYSA-N
XLogP5.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.72
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

1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 71718727
2-oxo-N-[2-phenyl-4-(trifluoromethyl)phenyl]acetamide
CID 134547020
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
2-[3-hydroxy-4-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]phenyl]acetic acid
CID 174513483
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 161340753
2-[3-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 23130330
1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271032
[2-hydroxy-4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11716321
N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide
CID 135254500
N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697368
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea (CID 22011313) is 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea is O=C(Nc1ccc(C(F)(F)F)cc1O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
The InChIKey is SWIRMXTXRCDCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)14-10-11-17(18(26)12-14)25-19(27)24-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,26H,(H2,24,25,27).
What are the key properties of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea?
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea has a molecular weight of 372.35 g/mol, XLogP of 5.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 22011313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).