2-(1-naphthalen-1-ylprop-2-ynyl)benzamide

C20H15NO — CID 175878898

IUPAC2-(1-naphthalen-1-ylprop-2-ynyl)benzamide
SMILESC#CC(c1ccccc1C(N)=O)c1cccc2ccccc12
InChIInChI=1S/C20H15NO/c1-2-15(18-11-5-6-12-19(18)20(21)22)17-13-7-9-14-8-3-4-10-16(14)17/h1,3-13,15H,(H2,21,22)
InChIKeyWACLNYFQTBLXHS-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.70
Rot. Bonds3

About 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide

2-(1-naphthalen-1-ylprop-2-ynyl)benzamide (PubChem CID 175878898) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylprop-2-ynyl)benzamide
PubChem CID175878898
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name2-(1-naphthalen-1-ylprop-2-ynyl)benzamide
SMILESC#CC(c1ccccc1C(N)=O)c1cccc2ccccc12
InChIInChI=1S/C20H15NO/c1-2-15(18-11-5-6-12-19(18)20(21)22)17-13-7-9-14-8-3-4-10-16(14)17/h1,3-13,15H,(H2,21,22)
InChIKeyWACLNYFQTBLXHS-UHFFFAOYSA-N
XLogP3.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
CID 129133768
CID 129133768
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
CID 101206946
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084
3-naphthalen-1-ylpent-4-yn-1-ol
CID 141253512
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide?
The IUPAC name of 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide (CID 175878898) is 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide.
What is the SMILES notation for 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide?
The canonical SMILES for 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide is C#CC(c1ccccc1C(N)=O)c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide?
The InChIKey is WACLNYFQTBLXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-2-15(18-11-5-6-12-19(18)20(21)22)17-13-7-9-14-8-3-4-10-16(14)17/h1,3-13,15H,(H2,21,22).
What are the key properties of 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide?
2-(1-naphthalen-1-ylprop-2-ynyl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylprop-2-ynyl)benzamide is sourced from PubChem (CID 175878898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).