3-amino-4-chloro-N-(2-methylpropyl)benzamide

C11H15ClN2O — CID 838194

IUPAC3-amino-4-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyXQMAOLZOUVKKEF-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.31
Rot. Bonds3

About 3-amino-4-chloro-N-(2-methylpropyl)benzamide

3-amino-4-chloro-N-(2-methylpropyl)benzamide (PubChem CID 838194) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-methylpropyl)benzamide
PubChem CID838194
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-amino-4-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyXQMAOLZOUVKKEF-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(2-methylpropyl)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

3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688
3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
CID 82167891
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-methylpropyl)benzamide (CID 838194) is 3-amino-4-chloro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-methylpropyl)benzamide?
The InChIKey is XQMAOLZOUVKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-chloro-N-(2-methylpropyl)benzamide?
3-amino-4-chloro-N-(2-methylpropyl)benzamide has a molecular weight of 226.71 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 838194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).