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

C15H12ClF3N2O2 — CID 108866565

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2/c1-23-13-5-3-2-4-12(13)21-14(22)20-11-7-6-9(16)8-10(11)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyVMBPNQOJBPWHDJ-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.01
Rot. Bonds3

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea (PubChem CID 108866565) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
PubChem CID108866565
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2/c1-23-13-5-3-2-4-12(13)21-14(22)20-11-7-6-9(16)8-10(11)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyVMBPNQOJBPWHDJ-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000723
(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000826
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 108992359
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea (CID 108866565) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is VMBPNQOJBPWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-13-5-3-2-4-12(13)21-14(22)20-11-7-6-9(16)8-10(11)15(17,18)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 344.72 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 108866565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).