3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide

C19H14N4O — CID 118722845

IUPAC3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14N4O/c24-18(22-19-20-12-21-23-19)17-7-3-6-15(11-17)16-9-8-13-4-1-2-5-14(13)10-16/h1-12H,(H2,20,21,22,23,24)
InChIKeyLJNYLIMAVAWNCA-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.88
Rot. Bonds3

About 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide

3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 118722845) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID118722845
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14N4O/c24-18(22-19-20-12-21-23-19)17-7-3-6-15(11-17)16-9-8-13-4-1-2-5-14(13)10-16/h1-12H,(H2,20,21,22,23,24)
InChIKeyLJNYLIMAVAWNCA-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 118722845) is 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is LJNYLIMAVAWNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-18(22-19-20-12-21-23-19)17-7-3-6-15(11-17)16-9-8-13-4-1-2-5-14(13)10-16/h1-12H,(H2,20,21,22,23,24).
What are the key properties of 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 118722845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).