4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

C13H14F2N4O — CID 159105174

IUPAC4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(C(=O)Nc2ncnn2C)ccc(C(F)F)c1C
InChIInChI=1S/C13H14F2N4O/c1-7-8(2)10(5-4-9(7)11(14)15)12(20)18-13-16-6-17-19(13)3/h4-6,11H,1-3H3,(H,16,17,18,20)
InChIKeyKDUFAWXVJABASN-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.62
Rot. Bonds3

About 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 159105174) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID159105174
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(C(=O)Nc2ncnn2C)ccc(C(F)F)c1C
InChIInChI=1S/C13H14F2N4O/c1-7-8(2)10(5-4-9(7)11(14)15)12(20)18-13-16-6-17-19(13)3/h4-6,11H,1-3H3,(H,16,17,18,20)
InChIKeyKDUFAWXVJABASN-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 159105174) is 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cc1c(C(=O)Nc2ncnn2C)ccc(C(F)F)c1C.
What is the InChIKey of 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is KDUFAWXVJABASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-7-8(2)10(5-4-9(7)11(14)15)12(20)18-13-16-6-17-19(13)3/h4-6,11H,1-3H3,(H,16,17,18,20).
What are the key properties of 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 280.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 159105174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).