4-[3-(4-cyanophenyl)propanoylamino]benzamide

C17H15N3O2 — CID 41484593

IUPAC4-[3-(4-cyanophenyl)propanoylamino]benzamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H15N3O2/c18-11-13-3-1-12(2-4-13)5-10-16(21)20-15-8-6-14(7-9-15)17(19)22/h1-4,6-9H,5,10H2,(H2,19,22)(H,20,21)
InChIKeyVAZUHYFMQWWJTL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.23
Rot. Bonds5

About 4-[3-(4-cyanophenyl)propanoylamino]benzamide

4-[3-(4-cyanophenyl)propanoylamino]benzamide (PubChem CID 41484593) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[3-(4-cyanophenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(4-cyanophenyl)propanoylamino]benzamide
PubChem CID41484593
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[3-(4-cyanophenyl)propanoylamino]benzamide
SMILESN#Cc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H15N3O2/c18-11-13-3-1-12(2-4-13)5-10-16(21)20-15-8-6-14(7-9-15)17(19)22/h1-4,6-9H,5,10H2,(H2,19,22)(H,20,21)
InChIKeyVAZUHYFMQWWJTL-UHFFFAOYSA-N
XLogP2.23
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
CID 41484605
4-(3-phenylpropanoylamino)benzamide
CID 675903
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
3-(4-cyanophenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 174115580
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenyl)propanoylamino]benzamide?
The IUPAC name of 4-[3-(4-cyanophenyl)propanoylamino]benzamide (CID 41484593) is 4-[3-(4-cyanophenyl)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(4-cyanophenyl)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(4-cyanophenyl)propanoylamino]benzamide is N#Cc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-(4-cyanophenyl)propanoylamino]benzamide?
The InChIKey is VAZUHYFMQWWJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-11-13-3-1-12(2-4-13)5-10-16(21)20-15-8-6-14(7-9-15)17(19)22/h1-4,6-9H,5,10H2,(H2,19,22)(H,20,21).
What are the key properties of 4-[3-(4-cyanophenyl)propanoylamino]benzamide?
4-[3-(4-cyanophenyl)propanoylamino]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenyl)propanoylamino]benzamide is sourced from PubChem (CID 41484593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).