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

C17H16N4O2 — CID 110001278

IUPACN-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4O2/c22-10-15(12-5-2-1-3-6-12)20-17(23)14-8-4-7-13(9-14)16-18-11-19-21-16/h1-9,11,15,22H,10H2,(H,20,23)(H,18,19,21)
InChIKeyGFDWDUKSQDJLAF-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.94
Rot. Bonds5

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

N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 110001278) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID110001278
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4O2/c22-10-15(12-5-2-1-3-6-12)20-17(23)14-8-4-7-13(9-14)16-18-11-19-21-16/h1-9,11,15,22H,10H2,(H,20,23)(H,18,19,21)
InChIKeyGFDWDUKSQDJLAF-UHFFFAOYSA-N
XLogP1.94
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97252587
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-[(2S)-2-anilinopropyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97332300
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
2-fluoro-N-(2-hydroxy-1-phenylethyl)pyridine-4-carboxamide
CID 63183562
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 110001278) is N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NC(CO)c1ccccc1)c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is GFDWDUKSQDJLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-10-15(12-5-2-1-3-6-12)20-17(23)14-8-4-7-13(9-14)16-18-11-19-21-16/h1-9,11,15,22H,10H2,(H,20,23)(H,18,19,21).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 110001278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).