N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C18H17FN4O — CID 15988135

IUPACN-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H17FN4O/c1-3-13-6-4-5-7-16(13)20-18(24)17-12(2)23(22-21-17)15-10-8-14(19)9-11-15/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyVSEFPSZXHNQBKP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.53
Rot. Bonds4

About N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 15988135) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID15988135
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H17FN4O/c1-3-13-6-4-5-7-16(13)20-18(24)17-12(2)23(22-21-17)15-10-8-14(19)9-11-15/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyVSEFPSZXHNQBKP-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193351
3-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861281
N-(3-fluorophenyl)-5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 16648950
N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 2150362
5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3245537
N-(2-fluorophenyl)-5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 8087414
Anticancer agent 83
CID 9152092
1-(2-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16017187
4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682479
5-methyl-1-(2-methylphenyl)-N-naphthalen-2-yltriazole-4-carboxamide
CID 137375588
N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 7246368
1-(4-Fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 15988407

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 15988135) is N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is CCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is VSEFPSZXHNQBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-3-13-6-4-5-7-16(13)20-18(24)17-12(2)23(22-21-17)15-10-8-14(19)9-11-15/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 15988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).