5-[(2-fluorobenzoyl)amino]hexanoic acid

C13H16FNO3 — CID 82855274

IUPAC5-[(2-fluorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-9(5-4-8-12(16)17)15-13(18)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFUHLSJOMUMNBOW-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.20
Rot. Bonds6

About 5-[(2-fluorobenzoyl)amino]hexanoic acid

5-[(2-fluorobenzoyl)amino]hexanoic acid (PubChem CID 82855274) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]hexanoic acid
PubChem CID82855274
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name5-[(2-fluorobenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-9(5-4-8-12(16)17)15-13(18)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFUHLSJOMUMNBOW-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[(2-tert-butylbenzoyl)amino]hexanoic acid
CID 82845775
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-fluoro-N-[(2S)-non-8-en-2-yl]benzamide
CID 151103290
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
5-[(2-fluoro-5-nitrobenzoyl)amino]hexanoic acid
CID 82845763
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]hexanoic acid (CID 82855274) is 5-[(2-fluorobenzoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]hexanoic acid?
The InChIKey is FUHLSJOMUMNBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(5-4-8-12(16)17)15-13(18)10-6-2-3-7-11(10)14/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-fluorobenzoyl)amino]hexanoic acid?
5-[(2-fluorobenzoyl)amino]hexanoic acid has a molecular weight of 253.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82855274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).