2-[3-(3-fluorophenyl)propanoylamino]benzamide

C16H15FN2O2 — CID 110675454

IUPAC2-[3-(3-fluorophenyl)propanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-4-11(10-12)8-9-15(20)19-14-7-2-1-6-13(14)16(18)21/h1-7,10H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyYLPUOSUYFOGCDB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-(3-fluorophenyl)propanoylamino]benzamide

2-[3-(3-fluorophenyl)propanoylamino]benzamide (PubChem CID 110675454) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)propanoylamino]benzamide
PubChem CID110675454
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-[3-(3-fluorophenyl)propanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c17-12-5-3-4-11(10-12)8-9-15(20)19-14-7-2-1-6-13(14)16(18)21/h1-7,10H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyYLPUOSUYFOGCDB-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
N-(2H-benzotriazol-4-yl)-3-(3-fluorophenyl)propanamide
CID 110732173
2-(3-aminopropanoylamino)benzamide
CID 22692052
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
3-(3-fluorophenyl)-N-quinolin-5-ylpropanamide
CID 34382272
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
CID 60621107

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)propanoylamino]benzamide?
The IUPAC name of 2-[3-(3-fluorophenyl)propanoylamino]benzamide (CID 110675454) is 2-[3-(3-fluorophenyl)propanoylamino]benzamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)propanoylamino]benzamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)propanoylamino]benzamide is NC(=O)c1ccccc1NC(=O)CCc1cccc(F)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)propanoylamino]benzamide?
The InChIKey is YLPUOSUYFOGCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-5-3-4-11(10-12)8-9-15(20)19-14-7-2-1-6-13(14)16(18)21/h1-7,10H,8-9H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[3-(3-fluorophenyl)propanoylamino]benzamide?
2-[3-(3-fluorophenyl)propanoylamino]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 110675454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).