6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid

C15H20FNO3 — CID 65286202

IUPAC6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-10(15(19)20)6-5-7-11(2)17-14(18)12-8-3-4-9-13(12)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIJDSIXSWDMMTLK-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.84
Rot. Bonds7

About 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid

6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid (PubChem CID 65286202) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
PubChem CID65286202
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO3/c1-10(15(19)20)6-5-7-11(2)17-14(18)12-8-3-4-9-13(12)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIJDSIXSWDMMTLK-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-fluoro-N-[(2S)-non-8-en-2-yl]benzamide
CID 151103290
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
CID 65285580
(2S)-2-[(2-fluorobenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708958
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid (CID 65286202) is 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1ccccc1F.
What is the InChIKey of 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid?
The InChIKey is IJDSIXSWDMMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(15(19)20)6-5-7-11(2)17-14(18)12-8-3-4-9-13(12)16/h3-4,8-11H,5-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid?
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65286202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).