3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide

C12H11F3N4O2 — CID 138024221

IUPAC3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O2/c1-2-21-12-17-11(18-19-12)16-10(20)6-3-4-8(13)7(5-6)9(14)15/h3-5,9H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyBRYBMLFQMWSFOG-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.53
Rot. Bonds5

About 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide

3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide (PubChem CID 138024221) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
PubChem CID138024221
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccc(F)c(C(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O2/c1-2-21-12-17-11(18-19-12)16-10(20)6-3-4-8(13)7(5-6)9(14)15/h3-5,9H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyBRYBMLFQMWSFOG-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
3-(difluoromethyl)-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-4-fluorobenzamide
CID 167805838
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 104817590
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-iodothiophene-3-carboxamide
CID 104818342
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide?
The IUPAC name of 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide (CID 138024221) is 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide is CCOc1n[nH]c(NC(=O)c2ccc(F)c(C(F)F)c2)n1.
What is the InChIKey of 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide?
The InChIKey is BRYBMLFQMWSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-2-21-12-17-11(18-19-12)16-10(20)6-3-4-8(13)7(5-6)9(14)15/h3-5,9H,2H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide?
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide has a molecular weight of 300.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 138024221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).