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

C15H16ClF3N2O — CID 108912646

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O/c16-11-6-7-13(12(8-11)15(17,18)19)21-14(22)20-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,20,21,22)
InChIKeyPJIGKCHKPPJIPH-UHFFFAOYSA-N
MW332.75 g/mol
LogP5.33
Rot. Bonds2

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

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea (PubChem CID 108912646) has the molecular formula C15H16ClF3N2O and a molecular weight of 332.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea
PubChem CID108912646
Molecular FormulaC15H16ClF3N2O
Molecular Weight332.75 g/mol
Exact Mass332.09
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O/c16-11-6-7-13(12(8-11)15(17,18)19)21-14(22)20-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,20,21,22)
InChIKeyPJIGKCHKPPJIPH-UHFFFAOYSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.75
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylidenemethyl)-3-(2,4-dichlorophenyl)urea
CID 108912397
1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
CID 108912672
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-(2-amino-4-methylphenyl)-3-(cyclohexylidenemethyl)urea
CID 108912676
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea (CID 108912646) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea is O=C(NC=C1CCCCC1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea?
The InChIKey is PJIGKCHKPPJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O/c16-11-6-7-13(12(8-11)15(17,18)19)21-14(22)20-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,20,21,22).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea has a molecular weight of 332.75 g/mol, XLogP of 5.33, 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-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).