8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid

C15H19ClFNO3 — CID 10663193

IUPAC8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO3/c16-11-7-6-8-12(17)14(11)15(21)18-10-5-3-1-2-4-9-13(19)20/h6-8H,1-5,9-10H2,(H,18,21)(H,19,20)
InChIKeyKNMDWNCCJCJEFF-UHFFFAOYSA-N
MW315.77 g/mol
LogP3.63
Rot. Bonds9

About 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid

8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid (PubChem CID 10663193) has the molecular formula C15H19ClFNO3 and a molecular weight of 315.77 g/mol. Its IUPAC name is 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
PubChem CID10663193
Molecular FormulaC15H19ClFNO3
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO3/c16-11-7-6-8-12(17)14(11)15(21)18-10-5-3-1-2-4-9-13(19)20/h6-8H,1-5,9-10H2,(H,18,21)(H,19,20)
InChIKeyKNMDWNCCJCJEFF-UHFFFAOYSA-N
XLogP3.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
7-[(3,6-difluoro-2-methoxybenzoyl)amino]heptanoic acid
CID 119350764
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid (CID 10663193) is 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid?
The InChIKey is KNMDWNCCJCJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO3/c16-11-7-6-8-12(17)14(11)15(21)18-10-5-3-1-2-4-9-13(19)20/h6-8H,1-5,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid?
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid has a molecular weight of 315.77 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid is sourced from PubChem (CID 10663193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).