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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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).