4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C16H14N4O2 — CID 49380377

IUPAC4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncn[nH]2)cc1-c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-22-14-8-7-12(15(21)19-16-17-10-18-20-16)9-13(14)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyDWONWPIUMZLHSN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.73
Rot. Bonds4

About 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide

4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 49380377) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID49380377
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncn[nH]2)cc1-c1ccccc1
InChIInChI=1S/C16H14N4O2/c1-22-14-8-7-12(15(21)19-16-17-10-18-20-16)9-13(14)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyDWONWPIUMZLHSN-UHFFFAOYSA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-3-phenylbenzoate
CID 11010121
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232
methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
CID 110424178
3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71701404
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
CID 154973261
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
4-methoxy-3-(5-phenyl-1H-pyrazol-4-yl)benzoic acid
CID 39222259

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 49380377) is 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ncn[nH]2)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is DWONWPIUMZLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-8-7-12(15(21)19-16-17-10-18-20-16)9-13(14)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 49380377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).