2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

C17H16N4O2 — CID 136525651

IUPAC2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-8-14(15)17(22)20-13-7-5-6-12(10-13)16-18-11-19-21-16/h3-11H,2H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyIDCKAYBZWPNURD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds5

About 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 136525651) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID136525651
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-8-14(15)17(22)20-13-7-5-6-12(10-13)16-18-11-19-21-16/h3-11H,2H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyIDCKAYBZWPNURD-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 136525651) is 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is IDCKAYBZWPNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-8-14(15)17(22)20-13-7-5-6-12(10-13)16-18-11-19-21-16/h3-11H,2H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 136525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).