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

C13H15Cl2NO3 — CID 62044139

IUPAC4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(2,6-5-11(17)18)16-12(19)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHXTIXAVLQHRSSA-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.37
Rot. Bonds5

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

4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62044139) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID62044139
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(2,6-5-11(17)18)16-12(19)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHXTIXAVLQHRSSA-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

4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 62041969
4-[(5-chloro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 103790574
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
4-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119204062
4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119203778
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 62044139) is 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is HXTIXAVLQHRSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-13(2,6-5-11(17)18)16-12(19)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
4-[(2,4-dichlorobenzoyl)amino]-4-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 4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62044139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).