3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide

C19H17FN4O — CID 154784209

IUPAC3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc(C3CC3)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN4O/c1-21-19(25)14-4-2-3-13(11-14)18-22-17(12-5-6-12)23-24(18)16-9-7-15(20)8-10-16/h2-4,7-12H,5-6H2,1H3,(H,21,25)
InChIKeyXESIQMOREAKMJD-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.31
Rot. Bonds4

About 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide

3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide (PubChem CID 154784209) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide
PubChem CID154784209
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc(C3CC3)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN4O/c1-21-19(25)14-4-2-3-13(11-14)18-22-17(12-5-6-12)23-24(18)16-9-7-15(20)8-10-16/h2-4,7-12H,5-6H2,1H3,(H,21,25)
InChIKeyXESIQMOREAKMJD-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(3-fluoro-5-(trifluoromethyl)benzyl)-5-methyl-1H-1,2,4-triazol-1-yl)-2-methylbenzamide
CID 56649300
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 16031691
4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide
CID 164615547
N-hydroxy-4-[[5-(3-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164616956
4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164618574
N-hydroxy-4-[[2-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164619515
N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164620931
4-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164623118
N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164624710
4-fluoro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 716731
N-hydroxy-4-[[2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164608931
4-[[2-(3,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164613078

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide?
The IUPAC name of 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide (CID 154784209) is 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2nc(C3CC3)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide?
The InChIKey is XESIQMOREAKMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-21-19(25)14-4-2-3-13(11-14)18-22-17(12-5-6-12)23-24(18)16-9-7-15(20)8-10-16/h2-4,7-12H,5-6H2,1H3,(H,21,25).
What are the key properties of 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide?
3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide has a molecular weight of 336.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 154784209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).