2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide

C15H19ClN2O3 — CID 64723347

IUPAC2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-10(2)7-11(6-9)17-15(19)13-4-3-12(18(20)21)8-14(13)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,19)
InChIKeyGCEGRNHSRMLGJZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.80
Rot. Bonds3

About 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide

2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide (PubChem CID 64723347) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
PubChem CID64723347
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C15H19ClN2O3/c1-9-5-10(2)7-11(6-9)17-15(19)13-4-3-12(18(20)21)8-14(13)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,19)
InChIKeyGCEGRNHSRMLGJZ-UHFFFAOYSA-N
XLogP3.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide 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-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
2-chloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-nitrobenzamide
CID 60574124
N-[(2-chloro-4-nitrophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64733850
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide (CID 64723347) is 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide is CC1CC(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide?
The InChIKey is GCEGRNHSRMLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-5-10(2)7-11(6-9)17-15(19)13-4-3-12(18(20)21)8-14(13)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide?
2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide has a molecular weight of 310.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide is sourced from PubChem (CID 64723347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).