4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C18H18N4O2 — CID 39032770

IUPAC4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-3-24-16-9-7-13(8-10-16)18(23)20-15-6-4-5-14(11-15)17-21-19-12-22(17)2/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyYHWHAFLGJJMVAR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.13
Rot. Bonds5

About 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 39032770) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID39032770
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1
InChIInChI=1S/C18H18N4O2/c1-3-24-16-9-7-13(8-10-16)18(23)20-15-6-4-5-14(11-15)17-21-19-12-22(17)2/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyYHWHAFLGJJMVAR-UHFFFAOYSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39034668
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
4-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017641
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzamide
CID 39035457
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 39032770) is 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is YHWHAFLGJJMVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-24-16-9-7-13(8-10-16)18(23)20-15-6-4-5-14(11-15)17-21-19-12-22(17)2/h4-12H,3H2,1-2H3,(H,20,23).
What are the key properties of 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 39032770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).