5-[(2,3-dichlorobenzoyl)amino]hexanoic acid

C13H15Cl2NO3 — CID 82854179

IUPAC5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-8(4-2-7-11(17)18)16-13(19)9-5-3-6-10(14)12(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZQNPGLQBPHCBKC-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.37
Rot. Bonds6

About 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid

5-[(2,3-dichlorobenzoyl)amino]hexanoic acid (PubChem CID 82854179) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
PubChem CID82854179
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-8(4-2-7-11(17)18)16-13(19)9-5-3-6-10(14)12(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyZQNPGLQBPHCBKC-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82848270
5-[(2-tert-butylbenzoyl)amino]hexanoic acid
CID 82845775
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
2-chloro-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 83178225

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid?
The IUPAC name of 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid (CID 82854179) is 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid?
The InChIKey is ZQNPGLQBPHCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(4-2-7-11(17)18)16-13(19)9-5-3-6-10(14)12(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid?
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid has a molecular weight of 304.17 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82854179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).