5-[(2,6-difluorobenzoyl)amino]hexanoic acid

C13H15F2NO3 — CID 82854153

IUPAC5-[(2,6-difluorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c1-8(4-2-7-11(17)18)16-13(19)12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyXCGLRRUZJSQNLV-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.34
Rot. Bonds6

About 5-[(2,6-difluorobenzoyl)amino]hexanoic acid

5-[(2,6-difluorobenzoyl)amino]hexanoic acid (PubChem CID 82854153) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 5-[(2,6-difluorobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,6-difluorobenzoyl)amino]hexanoic acid
PubChem CID82854153
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name5-[(2,6-difluorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H15F2NO3/c1-8(4-2-7-11(17)18)16-13(19)12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyXCGLRRUZJSQNLV-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
5-[[2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoyl]amino]pentanoic acid
CID 119234490
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 82847956

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorobenzoyl)amino]hexanoic acid?
The IUPAC name of 5-[(2,6-difluorobenzoyl)amino]hexanoic acid (CID 82854153) is 5-[(2,6-difluorobenzoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2,6-difluorobenzoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2,6-difluorobenzoyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 5-[(2,6-difluorobenzoyl)amino]hexanoic acid?
The InChIKey is XCGLRRUZJSQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-8(4-2-7-11(17)18)16-13(19)12-9(14)5-3-6-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2,6-difluorobenzoyl)amino]hexanoic acid?
5-[(2,6-difluorobenzoyl)amino]hexanoic acid has a molecular weight of 271.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82854153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).