[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone

C15H20ClNO — CID 130342338

IUPAC[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCCC(NCl)C2)c1
InChIInChI=1S/C15H20ClNO/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17-16/h3,5-6,9,13-14,17H,2,4,7-8,10H2,1H3
InChIKeyVWUMHZSFYJYXNE-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.73
Rot. Bonds4

About [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone

[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone (PubChem CID 130342338) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
PubChem CID130342338
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)C2CCCC(NCl)C2)c1
InChIInChI=1S/C15H20ClNO/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17-16/h3,5-6,9,13-14,17H,2,4,7-8,10H2,1H3
InChIKeyVWUMHZSFYJYXNE-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone 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

(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
CID 115788864
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
3-(cyclobutanecarbonyl)benzoyl chloride
CID 123709690
(3-ethylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944473
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
(3-propoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940735
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512

Frequently Asked Questions

What is the IUPAC name of [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone?
The IUPAC name of [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone (CID 130342338) is [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone.
What is the SMILES notation for [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone?
The canonical SMILES for [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone is CCc1cccc(C(=O)C2CCCC(NCl)C2)c1.
What is the InChIKey of [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone?
The InChIKey is VWUMHZSFYJYXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-11-5-3-6-12(9-11)15(18)13-7-4-8-14(10-13)17-16/h3,5-6,9,13-14,17H,2,4,7-8,10H2,1H3.
What are the key properties of [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone?
[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone is sourced from PubChem (CID 130342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).