N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide

C16H14N4O2 — CID 6457614

IUPACN-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cnnc3)c2)ccc1O
InChIInChI=1S/C16H14N4O2/c1-11-7-13(5-6-15(11)21)19-16(22)12-3-2-4-14(8-12)20-9-17-18-10-20/h2-10,21H,1H3,(H,19,22)
InChIKeyWOTPYTWZWXWAJP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds3

About N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide

N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6457614) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID6457614
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cnnc3)c2)ccc1O
InChIInChI=1S/C16H14N4O2/c1-11-7-13(5-6-15(11)21)19-16(22)12-3-2-4-14(8-12)20-9-17-18-10-20/h2-10,21H,1H3,(H,19,22)
InChIKeyWOTPYTWZWXWAJP-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6460869
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
N-(3-hydroxyphenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 6459181
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882082
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide (CID 6457614) is N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide is Cc1cc(NC(=O)c2cccc(-n3cnnc3)c2)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WOTPYTWZWXWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-7-13(5-6-15(11)21)19-16(22)12-3-2-4-14(8-12)20-9-17-18-10-20/h2-10,21H,1H3,(H,19,22).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide?
N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6457614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).