4-cyano-N-naphthalen-2-ylbenzamide

C18H12N2O — CID 2094798

IUPAC4-cyano-N-naphthalen-2-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H12N2O/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17/h1-11H,(H,20,21)
InChIKeyGMYBVRNHUDLCBL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.96
Rot. Bonds2

About 4-cyano-N-naphthalen-2-ylbenzamide

4-cyano-N-naphthalen-2-ylbenzamide (PubChem CID 2094798) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-cyano-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-cyano-N-naphthalen-2-ylbenzamide
PubChem CID2094798
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name4-cyano-N-naphthalen-2-ylbenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H12N2O/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17/h1-11H,(H,20,21)
InChIKeyGMYBVRNHUDLCBL-UHFFFAOYSA-N
XLogP3.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-cyano-N-naphthalen-2-ylbenzamide (CID 2094798) is 4-cyano-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-cyano-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-cyano-N-naphthalen-2-ylbenzamide is N#Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-cyano-N-naphthalen-2-ylbenzamide?
The InChIKey is GMYBVRNHUDLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17/h1-11H,(H,20,21).
What are the key properties of 4-cyano-N-naphthalen-2-ylbenzamide?
4-cyano-N-naphthalen-2-ylbenzamide has a molecular weight of 272.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 2094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).