2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C15H17Cl2NO — CID 835962

IUPAC2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H,18,19)
InChIKeyVNYRQEYFUANYLA-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.61
Rot. Bonds4

About 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 835962) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID835962
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H,18,19)
InChIKeyVNYRQEYFUANYLA-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide 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

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
CID 113212529
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19143643

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 835962) is 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is VNYRQEYFUANYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c16-12-6-7-13(14(17)10-12)15(19)18-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 298.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 835962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).