2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide

C19H19FN2O3 — CID 110615676

IUPAC2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-21-19(25)15-5-2-3-6-16(15)22-18(24)8-4-7-17(23)13-9-11-14(20)12-10-13/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,25)(H,22,24)
InChIKeyUXUVHGAFXVFQBQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.18
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide

2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide (PubChem CID 110615676) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
PubChem CID110615676
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-21-19(25)15-5-2-3-6-16(15)22-18(24)8-4-7-17(23)13-9-11-14(20)12-10-13/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,25)(H,22,24)
InChIKeyUXUVHGAFXVFQBQ-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
4-(4-fluorophenyl)-4-oxo-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 35274501
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide (CID 110615676) is 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide?
The InChIKey is UXUVHGAFXVFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-21-19(25)15-5-2-3-6-16(15)22-18(24)8-4-7-17(23)13-9-11-14(20)12-10-13/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide?
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide has a molecular weight of 342.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 110615676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).