1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea

C14H20ClN3O — CID 79110382

IUPAC1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
SMILESCNC1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-16-11-5-7-12(8-6-11)17-14(19)18-13-4-2-3-10(15)9-13/h2-4,9,11-12,16H,5-8H2,1H3,(H2,17,18,19)
InChIKeyDYYFUVNOKDDQCF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea

1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea (PubChem CID 79110382) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
PubChem CID79110382
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
SMILESCNC1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-16-11-5-7-12(8-6-11)17-14(19)18-13-4-2-3-10(15)9-13/h2-4,9,11-12,16H,5-8H2,1H3,(H2,17,18,19)
InChIKeyDYYFUVNOKDDQCF-UHFFFAOYSA-N
XLogP2.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]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-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(3-chlorophenyl)-3-[(1R,5S)-8-cyclopentyl-8-azoniabicyclo[3.2.1]octan-3-yl]urea
CID 7399714
1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461552
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
cis-methyl (1R,2S)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]cyclohexyl]benzoyl]cyclopentane-1-carboxylate
CID 69241760

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea (CID 79110382) is 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea is CNC1CCC(NC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea?
The InChIKey is DYYFUVNOKDDQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-16-11-5-7-12(8-6-11)17-14(19)18-13-4-2-3-10(15)9-13/h2-4,9,11-12,16H,5-8H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea?
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea has a molecular weight of 281.79 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea is sourced from PubChem (CID 79110382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).