3-(2-cyanophenyl)-N,5-dipropylbenzamide

C20H22N2O — CID 143077455

IUPAC3-(2-cyanophenyl)-N,5-dipropylbenzamide
SMILESCCCNC(=O)c1cc(CCC)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C20H22N2O/c1-3-7-15-11-17(19-9-6-5-8-16(19)14-21)13-18(12-15)20(23)22-10-4-2/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,22,23)
InChIKeyYNFVKXZQWYGGAG-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.32
Rot. Bonds6

About 3-(2-cyanophenyl)-N,5-dipropylbenzamide

3-(2-cyanophenyl)-N,5-dipropylbenzamide (PubChem CID 143077455) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N,5-dipropylbenzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N,5-dipropylbenzamide
PubChem CID143077455
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-(2-cyanophenyl)-N,5-dipropylbenzamide
SMILESCCCNC(=O)c1cc(CCC)cc(-c2ccccc2C#N)c1
InChIInChI=1S/C20H22N2O/c1-3-7-15-11-17(19-9-6-5-8-16(19)14-21)13-18(12-15)20(23)22-10-4-2/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,22,23)
InChIKeyYNFVKXZQWYGGAG-UHFFFAOYSA-N
XLogP4.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyanophenyl)-N,5-dipropylbenzamide;N-propylformamide;toluene
CID 143077454
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid
CID 70203209
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
1-N-[(2S)-2-aminohexyl]-3-N-butyl-5-(2-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 143077551
4-cyano-3-fluoro-N-propylbenzamide
CID 91191816
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N,5-dipropylbenzamide?
The IUPAC name of 3-(2-cyanophenyl)-N,5-dipropylbenzamide (CID 143077455) is 3-(2-cyanophenyl)-N,5-dipropylbenzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N,5-dipropylbenzamide?
The canonical SMILES for 3-(2-cyanophenyl)-N,5-dipropylbenzamide is CCCNC(=O)c1cc(CCC)cc(-c2ccccc2C#N)c1.
What is the InChIKey of 3-(2-cyanophenyl)-N,5-dipropylbenzamide?
The InChIKey is YNFVKXZQWYGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-7-15-11-17(19-9-6-5-8-16(19)14-21)13-18(12-15)20(23)22-10-4-2/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-cyanophenyl)-N,5-dipropylbenzamide?
3-(2-cyanophenyl)-N,5-dipropylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N,5-dipropylbenzamide is sourced from PubChem (CID 143077455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).