6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid

C14H17BrClNO3 — CID 107938037

IUPAC6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O
InChIInChI=1S/C14H17BrClNO3/c1-9(2-3-13(18)19)4-5-17-14(20)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H,17,20)(H,18,19)
InChIKeyPVVGKFFMKGOBAJ-UHFFFAOYSA-N
MW362.65 g/mol
LogP3.72
Rot. Bonds7

About 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid

6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid (PubChem CID 107938037) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
PubChem CID107938037
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O
InChIInChI=1S/C14H17BrClNO3/c1-9(2-3-13(18)19)4-5-17-14(20)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H,17,20)(H,18,19)
InChIKeyPVVGKFFMKGOBAJ-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
CID 107938039
6-[(3-bromo-4-methylbenzoyl)amino]-4-methylhexanoic acid
CID 81470620
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid (CID 107938037) is 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid is CC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O.
What is the InChIKey of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid?
The InChIKey is PVVGKFFMKGOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c1-9(2-3-13(18)19)4-5-17-14(20)10-6-11(15)8-12(16)7-10/h6-9H,2-5H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid?
6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid has a molecular weight of 362.65 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 107938037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).