2-amino-5-chloro-N,3-dimethylbenzamide

C9H11ClN2O — CID 25068251

IUPAC2-amino-5-chloro-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1N
InChIInChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyWOBVZGBINMTNKL-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.59
Rot. Bonds1

About 2-amino-5-chloro-N,3-dimethylbenzamide

2-amino-5-chloro-N,3-dimethylbenzamide (PubChem CID 25068251) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-amino-5-chloro-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N,3-dimethylbenzamide
PubChem CID25068251
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-amino-5-chloro-N,3-dimethylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1N
InChIInChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyWOBVZGBINMTNKL-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-5-chloro-N,3-dimethylbenzamide 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-amino-5-chloro-N,3-dimethylbenzamide?
The IUPAC name of 2-amino-5-chloro-N,3-dimethylbenzamide (CID 25068251) is 2-amino-5-chloro-N,3-dimethylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N,3-dimethylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N,3-dimethylbenzamide is CNC(=O)c1cc(Cl)cc(C)c1N.
What is the InChIKey of 2-amino-5-chloro-N,3-dimethylbenzamide?
The InChIKey is WOBVZGBINMTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-chloro-N,3-dimethylbenzamide?
2-amino-5-chloro-N,3-dimethylbenzamide has a molecular weight of 198.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N,3-dimethylbenzamide is sourced from PubChem (CID 25068251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).