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

C20H20N4O2 — CID 71942227

IUPAC2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2nncn2C)cc1C
InChIInChI=1S/C20H20N4O2/c1-13-8-9-15(10-14(13)2)19(25)16-6-4-5-7-17(16)20(26)21-11-18-23-22-12-24(18)3/h4-10,12H,11H2,1-3H3,(H,21,26)
InChIKeyDAMOWXHSJFKLLE-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.59
Rot. Bonds5

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

2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 71942227) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID71942227
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2nncn2C)cc1C
InChIInChI=1S/C20H20N4O2/c1-13-8-9-15(10-14(13)2)19(25)16-6-4-5-7-17(16)20(26)21-11-18-23-22-12-24(18)3/h4-10,12H,11H2,1-3H3,(H,21,26)
InChIKeyDAMOWXHSJFKLLE-UHFFFAOYSA-N
XLogP2.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 71942227) is 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nncn2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is DAMOWXHSJFKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-9-15(10-14(13)2)19(25)16-6-4-5-7-17(16)20(26)21-11-18-23-22-12-24(18)3/h4-10,12H,11H2,1-3H3,(H,21,26).
What are the key properties of 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71942227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).