2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid

C12H15ClN2O3 — CID 79195612

IUPAC2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H15ClN2O3/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(5-8)12(17)18/h3-5,7,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWMIWPJFMMJEYIV-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.83
Rot. Bonds5

About 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid

2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid (PubChem CID 79195612) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
PubChem CID79195612
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
SMILESCNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H15ClN2O3/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(5-8)12(17)18/h3-5,7,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWMIWPJFMMJEYIV-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid 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-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
2-chloro-4-[(3-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 119178957
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid (CID 79195612) is 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid is CNCC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The InChIKey is WMIWPJFMMJEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7(6-14-2)11(16)15-8-3-4-10(13)9(5-8)12(17)18/h3-5,7,14H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid is sourced from PubChem (CID 79195612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).