2-(3-cyanophenyl)-N-propylbenzamide

C17H16N2O — CID 56707495

IUPAC2-(3-cyanophenyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1-c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O/c1-2-10-19-17(20)16-9-4-3-8-15(16)14-7-5-6-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyPPAMVFWQSHVYTB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds4

About 2-(3-cyanophenyl)-N-propylbenzamide

2-(3-cyanophenyl)-N-propylbenzamide (PubChem CID 56707495) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-propylbenzamide
PubChem CID56707495
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(3-cyanophenyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1-c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O/c1-2-10-19-17(20)16-9-4-3-8-15(16)14-7-5-6-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyPPAMVFWQSHVYTB-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
N-butyl-2-phenylbenzamide
CID 21064565
N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
CID 144564242
[2-(propylcarbamoyl)phenyl] thiocyanate
CID 13349304
5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 3950818
2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901
[2-(propylcarbamoyl)phenyl]boronic acid
CID 71302340
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 125491202
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
2-(3-cyanophenyl)-5-methylbenzoic acid
CID 53225050

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-propylbenzamide?
The IUPAC name of 2-(3-cyanophenyl)-N-propylbenzamide (CID 56707495) is 2-(3-cyanophenyl)-N-propylbenzamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-propylbenzamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-propylbenzamide is CCCNC(=O)c1ccccc1-c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-propylbenzamide?
The InChIKey is PPAMVFWQSHVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-10-19-17(20)16-9-4-3-8-15(16)14-7-5-6-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-cyanophenyl)-N-propylbenzamide?
2-(3-cyanophenyl)-N-propylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-propylbenzamide is sourced from PubChem (CID 56707495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).