N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide

C15H18FNO3 — CID 166263366

IUPACN-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide
SMILESCCC(=O)c1ccc(F)c(NC(=O)CCCC(C)=O)c1
InChIInChI=1S/C15H18FNO3/c1-3-14(19)11-7-8-12(16)13(9-11)17-15(20)6-4-5-10(2)18/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyUFMPCJDEBAIBBZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.12
Rot. Bonds7

About N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide

N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide (PubChem CID 166263366) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide
PubChem CID166263366
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide
SMILESCCC(=O)c1ccc(F)c(NC(=O)CCCC(C)=O)c1
InChIInChI=1S/C15H18FNO3/c1-3-14(19)11-7-8-12(16)13(9-11)17-15(20)6-4-5-10(2)18/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyUFMPCJDEBAIBBZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-fluoro-3-(hexanoylamino)benzoate
CID 78840494
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
3-(5-bromopentanoylamino)-4-fluorobenzoic acid
CID 107908999
methyl 3-(4-aminobutanoylamino)-4-fluorobenzoate;hydrochloride
CID 119278007
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
methyl 4-fluoro-3-[4-(methylamino)butanoylamino]benzoate
CID 60843122
2-cyano-N-(2-fluoro-5-propanoylphenyl)propanamide
CID 166263365
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
3-(3-chloropropanoylamino)-4-fluorobenzoic acid
CID 43700942
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide?
The IUPAC name of N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide (CID 166263366) is N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide.
What is the SMILES notation for N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide?
The canonical SMILES for N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide is CCC(=O)c1ccc(F)c(NC(=O)CCCC(C)=O)c1.
What is the InChIKey of N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide?
The InChIKey is UFMPCJDEBAIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-14(19)11-7-8-12(16)13(9-11)17-15(20)6-4-5-10(2)18/h7-9H,3-6H2,1-2H3,(H,17,20).
What are the key properties of N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide?
N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide has a molecular weight of 279.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-propanoylphenyl)-5-oxohexanamide is sourced from PubChem (CID 166263366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).