2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid

C12H14Cl2N2O3 — CID 82832526

IUPAC2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-3-12(2,11(18)19)16-10(17)6-4-7(13)9(15)8(14)5-6/h4-5H,3,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNGQYSDQAEMNMLV-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.56
Rot. Bonds4

About 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid

2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid (PubChem CID 82832526) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
PubChem CID82832526
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-3-12(2,11(18)19)16-10(17)6-4-7(13)9(15)8(14)5-6/h4-5H,3,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNGQYSDQAEMNMLV-UHFFFAOYSA-N
XLogP2.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic 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

4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
2-[(4-amino-3-chloro-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 142416042
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 43619029
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79792646
(2S)-2-[(4-amino-5-chloro-2-ethoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416082
2-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 79792974
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid (CID 82832526) is 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is NGQYSDQAEMNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-3-12(2,11(18)19)16-10(17)6-4-7(13)9(15)8(14)5-6/h4-5H,3,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid?
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 82832526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).