4-cyano-N-(2-propylcyclopropyl)benzamide

C14H16N2O — CID 103713616

IUPAC4-cyano-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-2-3-12-8-13(12)16-14(17)11-6-4-10(9-15)5-7-11/h4-7,12-13H,2-3,8H2,1H3,(H,16,17)
InChIKeyOIGWTIWBRGEHLK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.48
Rot. Bonds4

About 4-cyano-N-(2-propylcyclopropyl)benzamide

4-cyano-N-(2-propylcyclopropyl)benzamide (PubChem CID 103713616) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-cyano-N-(2-propylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-propylcyclopropyl)benzamide
PubChem CID103713616
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-cyano-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-2-3-12-8-13(12)16-14(17)11-6-4-10(9-15)5-7-11/h4-7,12-13H,2-3,8H2,1H3,(H,16,17)
InChIKeyOIGWTIWBRGEHLK-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-propylcyclopropyl)amino]methyl]benzonitrile
CID 103711563
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
ethyl (3S,4R)-4-[(4-cyanobenzoyl)amino]pyrrolidine-3-carboxylate
CID 67437222
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-propylcyclopropyl)benzamide?
The IUPAC name of 4-cyano-N-(2-propylcyclopropyl)benzamide (CID 103713616) is 4-cyano-N-(2-propylcyclopropyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-propylcyclopropyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-propylcyclopropyl)benzamide is CCCC1CC1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-propylcyclopropyl)benzamide?
The InChIKey is OIGWTIWBRGEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-12-8-13(12)16-14(17)11-6-4-10(9-15)5-7-11/h4-7,12-13H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 4-cyano-N-(2-propylcyclopropyl)benzamide?
4-cyano-N-(2-propylcyclopropyl)benzamide has a molecular weight of 228.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-propylcyclopropyl)benzamide is sourced from PubChem (CID 103713616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).