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

C11H11Cl2NO3 — CID 62676717

IUPAC3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C11H11Cl2NO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFYHBVOZUQIIFOZ-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.44
Rot. Bonds4

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

3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62676717) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID62676717
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C11H11Cl2NO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFYHBVOZUQIIFOZ-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
2-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid (CID 62676717) is 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is FYHBVOZUQIIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-6(11(16)17)5-14-10(15)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid?
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 276.12 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62676717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).