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

C13H15Cl2NO3 — CID 3575114

IUPAC2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRKLNYXBGSUTCSH-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.22
Rot. Bonds5

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

2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 3575114) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID3575114
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRKLNYXBGSUTCSH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 3575114) is 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is RKLNYXBGSUTCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid?
2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.22, 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]-4-methylpentanoic acid is sourced from PubChem (CID 3575114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).