8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen

C15H22FNO3 — CID 157344175

IUPAC8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
SMILESO=C(O)CCCCCCCNC(=O)c1ccccc1F.[H][H]
InChIInChI=1S/C15H20FNO3.H2/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19);1H
InChIKeyBGTIQFHRSMNURT-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.23
Rot. Bonds9

About 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen

8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen (PubChem CID 157344175) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen.

Molecular Properties

Compound Name8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
PubChem CID157344175
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
SMILESO=C(O)CCCCCCCNC(=O)c1ccccc1F.[H][H]
InChIInChI=1S/C15H20FNO3.H2/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19);1H
InChIKeyBGTIQFHRSMNURT-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.23
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

5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid
CID 43091720
8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
CID 10760551

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen?
The IUPAC name of 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen (CID 157344175) is 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen.
What is the SMILES notation for 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen?
The canonical SMILES for 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen is O=C(O)CCCCCCCNC(=O)c1ccccc1F.[H][H].
What is the InChIKey of 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen?
The InChIKey is BGTIQFHRSMNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3.H2/c16-13-9-6-5-8-12(13)15(20)17-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9H,1-4,7,10-11H2,(H,17,20)(H,18,19);1H.
What are the key properties of 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen?
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen has a molecular weight of 283.34 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen is sourced from PubChem (CID 157344175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).