2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid

C13H15Cl2NO3 — CID 43618517

IUPAC2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-3-6-13(2,12(18)19)16-11(17)9-5-4-8(14)7-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEUHIPQAACIDFY-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.37
Rot. Bonds5

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

2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid (PubChem CID 43618517) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
PubChem CID43618517
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-3-6-13(2,12(18)19)16-11(17)9-5-4-8(14)7-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEUHIPQAACIDFY-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
2,4-dichloro-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 175051329
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid (CID 43618517) is 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is OEUHIPQAACIDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-3-6-13(2,12(18)19)16-11(17)9-5-4-8(14)7-10(9)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid?
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.37, 5 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]-2-methylpentanoic acid is sourced from PubChem (CID 43618517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).