5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid

C13H15BrClNO3 — CID 107938301

IUPAC5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO3/c1-8(2-3-12(17)18)7-16-13(19)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyRLSVDHFGFOPIKA-UHFFFAOYSA-N
MW348.62 g/mol
LogP3.33
Rot. Bonds6

About 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid

5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 107938301) has the molecular formula C13H15BrClNO3 and a molecular weight of 348.62 g/mol. Its IUPAC name is 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID107938301
Molecular FormulaC13H15BrClNO3
Molecular Weight348.62 g/mol
Exact Mass346.99
IUPAC Name5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15BrClNO3/c1-8(2-3-12(17)18)7-16-13(19)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyRLSVDHFGFOPIKA-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
CID 107938037
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
5-[(3-chloro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 82012836
5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
CID 107938039
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832892
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid (CID 107938301) is 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is RLSVDHFGFOPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO3/c1-8(2-3-12(17)18)7-16-13(19)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid?
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 348.62 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 107938301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).