1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide

C19H18FN5O2 — CID 55599112

IUPAC1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN5O2/c1-3-17(26)21-14-5-4-6-15(11-14)22-19(27)18-12(2)25(24-23-18)16-9-7-13(20)8-10-16/h4-11H,3H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyFOSLKVOVUFMLHL-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide (PubChem CID 55599112) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
PubChem CID55599112
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1
InChIInChI=1S/C19H18FN5O2/c1-3-17(26)21-14-5-4-6-15(11-14)22-19(27)18-12(2)25(24-23-18)16-9-7-13(20)8-10-16/h4-11H,3H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyFOSLKVOVUFMLHL-UHFFFAOYSA-N
XLogP3.32
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide 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

N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
CID 55891897
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 55599105
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509942

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide (CID 55599112) is 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide?
The InChIKey is FOSLKVOVUFMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-3-17(26)21-14-5-4-6-15(11-14)22-19(27)18-12(2)25(24-23-18)16-9-7-13(20)8-10-16/h4-11H,3H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 55599112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).