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

C12H14Cl2N2O3 — CID 79202526

IUPAC3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
SMILESCNCC(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-6(5-15-2)11(17)16-10-8(12(18)19)3-7(13)4-9(10)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQUUHMYMPOJZJCQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.49
Rot. Bonds5

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

3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid (PubChem CID 79202526) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
PubChem CID79202526
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
SMILESCNCC(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-6(5-15-2)11(17)16-10-8(12(18)19)3-7(13)4-9(10)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQUUHMYMPOJZJCQ-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-2-[[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-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
CID 43360187
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
3,5-dichloro-2-(3-methylbutylamino)benzoic acid
CID 18803925
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61194367
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
2-(but-3-enoylamino)-3,5-dichlorobenzoic acid
CID 55103432
3,5-dichloro-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]benzoic acid
CID 61201944
3,5-dichloro-2-(propanoylcarbamothioylamino)benzoic acid
CID 960380

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid (CID 79202526) is 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid is CNCC(C)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
The InChIKey is QUUHMYMPOJZJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6(5-15-2)11(17)16-10-8(12(18)19)3-7(13)4-9(10)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid?
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid is sourced from PubChem (CID 79202526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).