3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide

C20H16N2O — CID 7899681

IUPAC3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O/c1-14(17-10-9-16-6-2-3-7-18(16)12-17)22-20(23)19-8-4-5-15(11-19)13-21/h2-12,14H,1H3,(H,22,23)/t14-/m1/s1
InChIKeySZHROCXMAAUUPL-CQSZACIVSA-N
MW300.36 g/mol
LogP4.20
Rot. Bonds3

About 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide

3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide (PubChem CID 7899681) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
PubChem CID7899681
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O/c1-14(17-10-9-16-6-2-3-7-18(16)12-17)22-20(23)19-8-4-5-15(11-19)13-21/h2-12,14H,1H3,(H,22,23)/t14-/m1/s1
InChIKeySZHROCXMAAUUPL-CQSZACIVSA-N
XLogP4.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
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3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 42959635
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyanobenzamide
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3-cyano-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
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N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
CID 42911710
N-[1-(3-cyanophenyl)ethyl]-3,4-dihydroxybenzamide
CID 75499944
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
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3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide?
The IUPAC name of 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide (CID 7899681) is 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide?
The InChIKey is SZHROCXMAAUUPL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H16N2O/c1-14(17-10-9-16-6-2-3-7-18(16)12-17)22-20(23)19-8-4-5-15(11-19)13-21/h2-12,14H,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide?
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide is sourced from PubChem (CID 7899681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).