8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid

C15H21FN2O3 — CID 54514696

IUPAC8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
SMILESNc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H21FN2O3/c16-11-7-8-13(17)12(10-11)15(21)18-9-5-3-1-2-4-6-14(19)20/h7-8,10H,1-6,9,17H2,(H,18,21)(H,19,20)
InChIKeyYLPBGKGOGSFWDC-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.56
Rot. Bonds9

About 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid

8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid (PubChem CID 54514696) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
PubChem CID54514696
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
SMILESNc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C15H21FN2O3/c16-11-7-8-13(17)12(10-11)15(21)18-9-5-3-1-2-4-6-14(19)20/h7-8,10H,1-6,9,17H2,(H,18,21)(H,19,20)
InChIKeyYLPBGKGOGSFWDC-UHFFFAOYSA-N
XLogP2.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
CID 82547187
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
CID 120535606
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107836100
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
CID 120522577
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid (CID 54514696) is 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid is Nc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid?
The InChIKey is YLPBGKGOGSFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-11-7-8-13(17)12(10-11)15(21)18-9-5-3-1-2-4-6-14(19)20/h7-8,10H,1-6,9,17H2,(H,18,21)(H,19,20).
What are the key properties of 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid?
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid is sourced from PubChem (CID 54514696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).