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

C14H10ClF3N2O — CID 727784

IUPAC1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyZCTSODQNWHZOPH-UHFFFAOYSA-N
MW314.69 g/mol
LogP5.00
Rot. Bonds2

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

1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 727784) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID727784
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyZCTSODQNWHZOPH-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.69
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
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CID 51242458
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 121062071

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 727784) is 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZCTSODQNWHZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-9-5-7-10(8-6-9)19-13(21)20-12-4-2-1-3-11(12)14(16,17)18/h1-8H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 314.69 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 727784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).