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

C15H19BrClNO3 — CID 107938039

IUPAC6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
SMILESCCC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O
InChIInChI=1S/C15H19BrClNO3/c1-2-10(3-4-14(19)20)5-6-18-15(21)11-7-12(16)9-13(17)8-11/h7-10H,2-6H2,1H3,(H,18,21)(H,19,20)
InChIKeyFCNYFBWEROLYGU-UHFFFAOYSA-N
MW376.68 g/mol
LogP4.11
Rot. Bonds8

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

6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid (PubChem CID 107938039) has the molecular formula C15H19BrClNO3 and a molecular weight of 376.68 g/mol. Its IUPAC name is 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid.

Molecular Properties

Compound Name6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
PubChem CID107938039
Molecular FormulaC15H19BrClNO3
Molecular Weight376.68 g/mol
Exact Mass375.02
IUPAC Name6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid
SMILESCCC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O
InChIInChI=1S/C15H19BrClNO3/c1-2-10(3-4-14(19)20)5-6-18-15(21)11-7-12(16)9-13(17)8-11/h7-10H,2-6H2,1H3,(H,18,21)(H,19,20)
InChIKeyFCNYFBWEROLYGU-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-bromo-5-chlorobenzoyl)amino]-4-methylhexanoic acid
CID 107938037
6-[(3-bromo-4-chlorobenzoyl)amino]-4-ethylhexanoic acid
CID 107997918
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
6-[(3-chloro-4-fluorobenzoyl)amino]-4-ethylhexanoic acid
CID 82873187
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
6-[(5-amino-2-bromobenzoyl)amino]-4-ethylhexanoic acid
CID 115297367
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid?
The IUPAC name of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid (CID 107938039) is 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid.
What is the SMILES notation for 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid?
The canonical SMILES for 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid is CCC(CCNC(=O)c1cc(Cl)cc(Br)c1)CCC(=O)O.
What is the InChIKey of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid?
The InChIKey is FCNYFBWEROLYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO3/c1-2-10(3-4-14(19)20)5-6-18-15(21)11-7-12(16)9-13(17)8-11/h7-10H,2-6H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid?
6-[(3-bromo-5-chlorobenzoyl)amino]-4-ethylhexanoic acid has a molecular weight of 376.68 g/mol, XLogP of 4.11, 8 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-ethylhexanoic acid is sourced from PubChem (CID 107938039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).