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

C17H16N4O — CID 2977312

IUPAC2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19,20,21,22)
InChIKeyWOZQQRFEEUFNQR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.84
Rot. Bonds5

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

2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2977312) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2977312
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19,20,21,22)
InChIKeyWOZQQRFEEUFNQR-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 60810768
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 155944724
N-(1H-1,2,4-triazol-5-yl)isoquinoline-1-carboxamide
CID 62318170
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 55609495
3-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 8797908
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2977312) is 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccccc1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is WOZQQRFEEUFNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,19,20,21,22).
What are the key properties of 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2977312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).