N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide

C28H24N2O — CID 44890546

IUPACN-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
SMILESCC[C@](C#N)(c1ccccc1)C(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H24N2O/c1-2-28(20-29,23-16-7-4-8-17-23)26(30-27(31)22-13-5-3-6-14-22)25-19-11-15-21-12-9-10-18-24(21)25/h3-19,26H,2H2,1H3,(H,30,31)/t26?,28-/m0/s1
InChIKeyWYPLNUHSBFAAQV-RXBHZZDJSA-N
MW404.51 g/mol
LogP6.18
Rot. Bonds6

About N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide

N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide (PubChem CID 44890546) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
PubChem CID44890546
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC NameN-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
SMILESCC[C@](C#N)(c1ccccc1)C(NC(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H24N2O/c1-2-28(20-29,23-16-7-4-8-17-23)26(30-27(31)22-13-5-3-6-14-22)25-19-11-15-21-12-9-10-18-24(21)25/h3-19,26H,2H2,1H3,(H,30,31)/t26?,28-/m0/s1
InChIKeyWYPLNUHSBFAAQV-RXBHZZDJSA-N
XLogP6.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
CID 69009990
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
CID 3571903
(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile
CID 101449717
2,2-diethyl-N,N'-bis[(1S)-2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 66807835
N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
CID 154996169
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
CID 44890614
3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane
CID 178174542
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide?
The IUPAC name of N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide (CID 44890546) is N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide.
What is the SMILES notation for N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide?
The canonical SMILES for N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide is CC[C@](C#N)(c1ccccc1)C(NC(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide?
The InChIKey is WYPLNUHSBFAAQV-RXBHZZDJSA-N. The full InChI is InChI=1S/C28H24N2O/c1-2-28(20-29,23-16-7-4-8-17-23)26(30-27(31)22-13-5-3-6-14-22)25-19-11-15-21-12-9-10-18-24(21)25/h3-19,26H,2H2,1H3,(H,30,31)/t26?,28-/m0/s1.
What are the key properties of N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide?
N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide is sourced from PubChem (CID 44890546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).