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

C15H12ClF3N2O — CID 108894207

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-12(9)20-14(22)21-13-7-6-10(16)8-11(13)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyXZXLGMYLAMMKCM-UHFFFAOYSA-N
MW328.72 g/mol
LogP5.31
Rot. Bonds2

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 108894207) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
PubChem CID108894207
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-12(9)20-14(22)21-13-7-6-10(16)8-11(13)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyXZXLGMYLAMMKCM-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.72
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea (CID 108894207) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is XZXLGMYLAMMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-9-4-2-3-5-12(9)20-14(22)21-13-7-6-10(16)8-11(13)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-methylphenyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 328.72 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 108894207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).