3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide

C17H14F2N4O — CID 146152234

IUPAC3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-15-7-6-12(10-16(15)19)17(24)20-9-8-13-11-21-23(22-13)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,24)
InChIKeyIKDQMHOTNAOIPW-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.52
Rot. Bonds5

About 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide

3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (PubChem CID 146152234) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
PubChem CID146152234
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-15-7-6-12(10-16(15)19)17(24)20-9-8-13-11-21-23(22-13)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,24)
InChIKeyIKDQMHOTNAOIPW-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide 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-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152232
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 146152245
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
N-[2-(2-phenyltriazol-4-yl)ethyl]but-2-ynamide
CID 146097973
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
N-benzyl-3,4-difluorobenzamide
CID 1294460
3,4-difluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150810
5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
CID 166401660

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (CID 146152234) is 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is O=C(NCCc1cnn(-c2ccccc2)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The InChIKey is IKDQMHOTNAOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-15-7-6-12(10-16(15)19)17(24)20-9-8-13-11-21-23(22-13)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,24).
What are the key properties of 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide has a molecular weight of 328.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 146152234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).