N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide

C20H20N2O — CID 54111455

IUPACN-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
SMILESCC1(C)Cc2ccc(C#N)cc2C(NC(=O)c2ccccc2)C1
InChIInChI=1S/C20H20N2O/c1-20(2)11-16-9-8-14(13-21)10-17(16)18(12-20)22-19(23)15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3,(H,22,23)
InChIKeyINDVIVCOIFPSJV-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.00
Rot. Bonds2

About N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide

N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide (PubChem CID 54111455) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
PubChem CID54111455
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
SMILESCC1(C)Cc2ccc(C#N)cc2C(NC(=O)c2ccccc2)C1
InChIInChI=1S/C20H20N2O/c1-20(2)11-16-9-8-14(13-21)10-17(16)18(12-20)22-19(23)15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3,(H,22,23)
InChIKeyINDVIVCOIFPSJV-UHFFFAOYSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
CID 10063698
2-[(1S,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]-N-(methylcarbamoyl)acetamide
CID 71187598
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 144805024
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
CID 137458482
6-cyano-4-(phenylcarbamoyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylic acid
CID 175600056
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]thiophene-2-carboxamide
CID 69088896
N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]methanesulfonamide
CID 69041260
tert-butyl N-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)carbamate
CID 130119912
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870

Frequently Asked Questions

What is the IUPAC name of N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide?
The IUPAC name of N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide (CID 54111455) is N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide.
What is the SMILES notation for N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide?
The canonical SMILES for N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide is CC1(C)Cc2ccc(C#N)cc2C(NC(=O)c2ccccc2)C1.
What is the InChIKey of N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide?
The InChIKey is INDVIVCOIFPSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2)11-16-9-8-14(13-21)10-17(16)18(12-20)22-19(23)15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide?
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide is sourced from PubChem (CID 54111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).