2-cyano-N-(3-phenylpropyl)benzamide

C17H16N2O — CID 57390564

IUPAC2-cyano-N-(3-phenylpropyl)benzamide
SMILESN#Cc1ccccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H16N2O/c18-13-15-10-4-5-11-16(15)17(20)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12H2,(H,19,20)
InChIKeyMFCXVDWBUQFFJE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds5

About 2-cyano-N-(3-phenylpropyl)benzamide

2-cyano-N-(3-phenylpropyl)benzamide (PubChem CID 57390564) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyano-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-cyano-N-(3-phenylpropyl)benzamide
PubChem CID57390564
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-cyano-N-(3-phenylpropyl)benzamide
SMILESN#Cc1ccccc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C17H16N2O/c18-13-15-10-4-5-11-16(15)17(20)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12H2,(H,19,20)
InChIKeyMFCXVDWBUQFFJE-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 25354
CID 25354
CID 9841259
CID 9841259
CID 11959
CID 11959
CID 76024
CID 76024
CID 150896
CID 150896
CID 40598
CID 40598
CID 73878
CID 73878
CID 230488
CID 230488
CID 723105
CID 723105
CID 809338
CID 809338
CID 809340
CID 809340
CID 1220236
CID 1220236

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-cyano-N-(3-phenylpropyl)benzamide (CID 57390564) is 2-cyano-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-cyano-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-cyano-N-(3-phenylpropyl)benzamide is N#Cc1ccccc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-cyano-N-(3-phenylpropyl)benzamide?
The InChIKey is MFCXVDWBUQFFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-13-15-10-4-5-11-16(15)17(20)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12H2,(H,19,20).
What are the key properties of 2-cyano-N-(3-phenylpropyl)benzamide?
2-cyano-N-(3-phenylpropyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 57390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).