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

C16H14ClF3N2O3 — CID 108992212

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C16H14ClF3N2O3/c1-24-10-4-6-13(14(8-10)25-2)22-15(23)21-12-5-3-9(17)7-11(12)16(18,19)20/h3-8H,1-2H3,(H2,21,22,23)
InChIKeyATRHIGJMEMNHBA-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.02
Rot. Bonds4

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 108992212) has the molecular formula C16H14ClF3N2O3 and a molecular weight of 374.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID108992212
Molecular FormulaC16H14ClF3N2O3
Molecular Weight374.75 g/mol
Exact Mass374.06
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C16H14ClF3N2O3/c1-24-10-4-6-13(14(8-10)25-2)22-15(23)21-12-5-3-9(17)7-11(12)16(18,19)20/h3-8H,1-2H3,(H2,21,22,23)
InChIKeyATRHIGJMEMNHBA-UHFFFAOYSA-N
XLogP5.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216560
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea (CID 108992212) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is ATRHIGJMEMNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3/c1-24-10-4-6-13(14(8-10)25-2)22-15(23)21-12-5-3-9(17)7-11(12)16(18,19)20/h3-8H,1-2H3,(H2,21,22,23).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 374.75 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108992212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).