2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C17H16N4O2 — CID 18132348

IUPAC2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-16-4-2-1-3-15(16)17(23)19-9-13-5-7-14(8-6-13)10-21-12-18-11-20-21/h1-8,11-12,22H,9-10H2,(H,19,23)
InChIKeyTXTVAODZOQUVIC-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.96
Rot. Bonds5

About 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 18132348) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID18132348
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1O
InChIInChI=1S/C17H16N4O2/c22-16-4-2-1-3-15(16)17(23)19-9-13-5-7-14(8-6-13)10-21-12-18-11-20-21/h1-8,11-12,22H,9-10H2,(H,19,23)
InChIKeyTXTVAODZOQUVIC-UHFFFAOYSA-N
XLogP1.96
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55556512
2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
CID 1115354
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 18132348) is 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is TXTVAODZOQUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16-4-2-1-3-15(16)17(23)19-9-13-5-7-14(8-6-13)10-21-12-18-11-20-21/h1-8,11-12,22H,9-10H2,(H,19,23).
What are the key properties of 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18132348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).