2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide

C21H18N4O — CID 166387441

IUPAC2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnn1)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c26-21(22-12-14-25-15-13-23-24-25)20-10-4-3-9-19(20)18-11-5-7-16-6-1-2-8-17(16)18/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyGOACHCRFOZYNGE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.53
Rot. Bonds5

About 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide

2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide (PubChem CID 166387441) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
PubChem CID166387441
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnn1)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C21H18N4O/c26-21(22-12-14-25-15-13-23-24-25)20-10-4-3-9-19(20)18-11-5-7-16-6-1-2-8-17(16)18/h1-11,13,15H,12,14H2,(H,22,26)
InChIKeyGOACHCRFOZYNGE-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
3-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105072445
4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113413228
2-[2-oxo-2-[3-(triazol-1-yl)propylamino]ethyl]benzoic acid
CID 104601773
4-bromo-2-sulfanyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 107034780
5-(4-fluoro-3-methoxyphenyl)-N-[3-(triazol-1-yl)propyl]naphthalene-1-carboxamide
CID 172655951
2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 126799160
2-chloro-N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 122570554
N-[3-(triazol-1-yl)propyl]-1,3-benzothiazole-7-carboxamide
CID 157017238
3-fluoro-2-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105387292
benzyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 130166648
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide (CID 166387441) is 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide is O=C(NCCn1ccnn1)c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide?
The InChIKey is GOACHCRFOZYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(22-12-14-25-15-13-23-24-25)20-10-4-3-9-19(20)18-11-5-7-16-6-1-2-8-17(16)18/h1-11,13,15H,12,14H2,(H,22,26).
What are the key properties of 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide?
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 166387441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).