3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide

C20H16N2O — CID 43823026

IUPAC3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c1-2-22(20(23)17-10-5-7-15(13-17)14-21)19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,2H2,1H3
InChIKeyZLHIVYQUKIKHGX-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.38
Rot. Bonds3

About 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide

3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 43823026) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID43823026
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c1-2-22(20(23)17-10-5-7-15(13-17)14-21)19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,2H2,1H3
InChIKeyZLHIVYQUKIKHGX-UHFFFAOYSA-N
XLogP4.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256
4-[2-(dicyanomethylidene)hydrazinyl]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 169340310
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
N-ethyl-4-isocyanato-N-naphthalen-1-ylbenzamide
CID 169354457
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 18127905
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
CID 68908310
2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide (CID 43823026) is 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1cccc(C#N)c1)c1cccc2ccccc12.
What is the InChIKey of 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is ZLHIVYQUKIKHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-22(20(23)17-10-5-7-15(13-17)14-21)19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,2H2,1H3.
What are the key properties of 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide?
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 43823026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).