4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide

C17H17FN2O2 — CID 51195875

IUPAC4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c18-15-8-3-12(4-9-15)5-10-16(21)20-11-13-1-6-14(7-2-13)17(19)22/h1-4,6-9H,5,10-11H2,(H2,19,22)(H,20,21)
InChIKeyGOUMRYZIQWJLPF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.17
Rot. Bonds6

About 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide

4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide (PubChem CID 51195875) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
PubChem CID51195875
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c18-15-8-3-12(4-9-15)5-10-16(21)20-11-13-1-6-14(7-2-13)17(19)22/h1-4,6-9H,5,10-11H2,(H2,19,22)(H,20,21)
InChIKeyGOUMRYZIQWJLPF-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
4-[[3-(4-bromo-2-fluorophenyl)propanoylamino]methyl]benzamide
CID 51127668
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N-(4-aminosulfanylphenyl)-3-(4-fluorophenyl)propanamide;benzamide
CID 142474701
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
CID 110730559

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide?
The IUPAC name of 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide (CID 51195875) is 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide?
The canonical SMILES for 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide is NC(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide?
The InChIKey is GOUMRYZIQWJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-8-3-12(4-9-15)5-10-16(21)20-11-13-1-6-14(7-2-13)17(19)22/h1-4,6-9H,5,10-11H2,(H2,19,22)(H,20,21).
What are the key properties of 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide?
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 51195875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).