1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea

C19H29ClN2O — CID 170579151

IUPAC1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
SMILESClc1cccc(CC2CCCC2)c1.NC(=O)NC1CCCCC1
InChIInChI=1S/C12H15Cl.C7H14N2O/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;8-7(10)9-6-4-2-1-3-5-6/h3,6-7,9-10H,1-2,4-5,8H2;6H,1-5H2,(H3,8,9,10)
InChIKeyUCODQXUWJQVIOZ-UHFFFAOYSA-N
MW336.91 g/mol
LogP5.06
Rot. Bonds3

About 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea

1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea (PubChem CID 170579151) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea.

Molecular Properties

Compound Name1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
PubChem CID170579151
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
SMILESClc1cccc(CC2CCCC2)c1.NC(=O)NC1CCCCC1
InChIInChI=1S/C12H15Cl.C7H14N2O/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;8-7(10)9-6-4-2-1-3-5-6/h3,6-7,9-10H,1-2,4-5,8H2;6H,1-5H2,(H3,8,9,10)
InChIKeyUCODQXUWJQVIOZ-UHFFFAOYSA-N
XLogP5.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.91
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea 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

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
3-[(3-chlorophenyl)methylsulfanyl]-N-cyclooctylpropanamide
CID 4219380
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
CID 108984045
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
CID 110625244
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
(2R)-2-[(3-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100595238

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea?
The IUPAC name of 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea (CID 170579151) is 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea.
What is the SMILES notation for 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea?
The canonical SMILES for 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea is Clc1cccc(CC2CCCC2)c1.NC(=O)NC1CCCCC1.
What is the InChIKey of 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea?
The InChIKey is UCODQXUWJQVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl.C7H14N2O/c13-12-7-3-6-11(9-12)8-10-4-1-2-5-10;8-7(10)9-6-4-2-1-3-5-6/h3,6-7,9-10H,1-2,4-5,8H2;6H,1-5H2,(H3,8,9,10).
What are the key properties of 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea?
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea has a molecular weight of 336.91 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea is sourced from PubChem (CID 170579151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).