N-benzyl-4-fluoro-7-oxooctanamide

C15H20FNO2 — CID 154713599

IUPACN-benzyl-4-fluoro-7-oxooctanamide
SMILESCC(=O)CCC(F)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H20FNO2/c1-12(18)7-8-14(16)9-10-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,19)
InChIKeyLYUFGMRNESARMV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.79
Rot. Bonds8

About N-benzyl-4-fluoro-7-oxooctanamide

N-benzyl-4-fluoro-7-oxooctanamide (PubChem CID 154713599) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-benzyl-4-fluoro-7-oxooctanamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-7-oxooctanamide
PubChem CID154713599
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-benzyl-4-fluoro-7-oxooctanamide
SMILESCC(=O)CCC(F)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H20FNO2/c1-12(18)7-8-14(16)9-10-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,19)
InChIKeyLYUFGMRNESARMV-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4,4-difluorobutanamide
CID 132965820
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-benzyl-4-(methylamino)heptanamide
CID 142110243
N-benzyl-4-bromooctanamide
CID 174470522
[(2R)-5-(benzylamino)-2-(hydroxymethyl)-5-oxopentyl] acetate
CID 132547742
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
N-benzyl-4-oxopentanethioamide
CID 141297751
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-7-oxooctanamide?
The IUPAC name of N-benzyl-4-fluoro-7-oxooctanamide (CID 154713599) is N-benzyl-4-fluoro-7-oxooctanamide.
What is the SMILES notation for N-benzyl-4-fluoro-7-oxooctanamide?
The canonical SMILES for N-benzyl-4-fluoro-7-oxooctanamide is CC(=O)CCC(F)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-fluoro-7-oxooctanamide?
The InChIKey is LYUFGMRNESARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-12(18)7-8-14(16)9-10-15(19)17-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,17,19).
What are the key properties of N-benzyl-4-fluoro-7-oxooctanamide?
N-benzyl-4-fluoro-7-oxooctanamide has a molecular weight of 265.33 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-7-oxooctanamide is sourced from PubChem (CID 154713599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).