2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide

C14H19Cl2NO — CID 138509783

IUPAC2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1C(Cl)=CC=CC1Cl
InChIInChI=1S/C14H19Cl2NO/c1-9-5-2-3-8-12(9)17-14(18)13-10(15)6-4-7-11(13)16/h4,6-7,9-10,12-13H,2-3,5,8H2,1H3,(H,17,18)
InChIKeyVXAYLNCHDQBLFF-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.60
Rot. Bonds2

About 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide

2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 138509783) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID138509783
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1C(Cl)=CC=CC1Cl
InChIInChI=1S/C14H19Cl2NO/c1-9-5-2-3-8-12(9)17-14(18)13-10(15)6-4-7-11(13)16/h4,6-7,9-10,12-13H,2-3,5,8H2,1H3,(H,17,18)
InChIKeyVXAYLNCHDQBLFF-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide (CID 138509783) is 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide is CC1CCCCC1NC(=O)C1C(Cl)=CC=CC1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is VXAYLNCHDQBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-5-2-3-8-12(9)17-14(18)13-10(15)6-4-7-11(13)16/h4,6-7,9-10,12-13H,2-3,5,8H2,1H3,(H,17,18).
What are the key properties of 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide?
2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 288.22 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methylcyclohexyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 138509783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).