1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea

C14H18ClFN2O — CID 17249915

IUPAC1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H18ClFN2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19)
InChIKeyZHRWMCVVEQLBEC-UHFFFAOYSA-N
MW284.76 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea

1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea (PubChem CID 17249915) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
PubChem CID17249915
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H18ClFN2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19)
InChIKeyZHRWMCVVEQLBEC-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9443984
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea (CID 17249915) is 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea?
The InChIKey is ZHRWMCVVEQLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea?
1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea has a molecular weight of 284.76 g/mol, XLogP of 4.18, 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-fluorophenyl)-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 17249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).