3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide

C11H11ClN2O3 — CID 82780340

IUPAC3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
SMILESCC1CC1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c1-6-4-9(6)13-11(15)7-2-3-10(14(16)17)8(12)5-7/h2-3,5-6,9H,4H2,1H3,(H,13,15)
InChIKeyHAZLUAJCQAVJEG-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.39
Rot. Bonds3

About 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide

3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide (PubChem CID 82780340) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
PubChem CID82780340
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
SMILESCC1CC1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c1-6-4-9(6)13-11(15)7-2-3-10(14(16)17)8(12)5-7/h2-3,5-6,9H,4H2,1H3,(H,13,15)
InChIKeyHAZLUAJCQAVJEG-UHFFFAOYSA-N
XLogP2.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.39
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 3-chloro-N-(2-methylcyclopropyl)-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

3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 82781177
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
3-chloro-4-nitro-N-(thian-3-yl)benzamide
CID 113342817
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
N-(2-acetamidoethyl)-3-chloro-4-nitrobenzamide
CID 82781778
3-chloro-N-(cyanomethyl)-4-nitrobenzamide
CID 82780665
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
CID 115868875
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide (CID 82780340) is 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide is CC1CC1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide?
The InChIKey is HAZLUAJCQAVJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-6-4-9(6)13-11(15)7-2-3-10(14(16)17)8(12)5-7/h2-3,5-6,9H,4H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide?
3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide has a molecular weight of 254.67 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide is sourced from PubChem (CID 82780340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).