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

C18H18N4O2 — CID 110001357

IUPACN-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NC(CO)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-19-17(22-21-12)14-8-5-9-15(10-14)18(24)20-16(11-23)13-6-3-2-4-7-13/h2-10,16,23H,11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyQKNWWUWWIVWLIR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.24
Rot. Bonds5

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

N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 110001357) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID110001357
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NC(CO)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C18H18N4O2/c1-12-19-17(22-21-12)14-8-5-9-15(10-14)18(24)20-16(11-23)13-6-3-2-4-7-13/h2-10,16,23H,11H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyQKNWWUWWIVWLIR-UHFFFAOYSA-N
XLogP2.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278
N-[(2S)-4-methylsulfanylbutan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971468
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
methyl 2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]oxyacetate
CID 167909307
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111831347

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 110001357) is N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)NC(CO)c3ccccc3)c2)n[nH]1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is QKNWWUWWIVWLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-19-17(22-21-12)14-8-5-9-15(10-14)18(24)20-16(11-23)13-6-3-2-4-7-13/h2-10,16,23H,11H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.24, 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-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110001357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).