2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid

C14H17Cl2NO3 — CID 115429513

IUPAC2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C14H17Cl2NO3/c1-3-14(4-2,13(19)20)8-17-12(18)10-6-5-9(15)7-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBPMIXZMXKCBXPA-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.61
Rot. Bonds6

About 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid

2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115429513) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115429513
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C14H17Cl2NO3/c1-3-14(4-2,13(19)20)8-17-12(18)10-6-5-9(15)7-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBPMIXZMXKCBXPA-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic 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-[[(2-bromo-4-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 107986918
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115430752
2-[[(5-acetamido-2-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 120533366
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
2-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113352909
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2-[[(2,6-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429500
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid (CID 115429513) is 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is BPMIXZMXKCBXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-3-14(4-2,13(19)20)8-17-12(18)10-6-5-9(15)7-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 318.20 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115429513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).