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

C18H17FN4O — CID 2150369

IUPAC1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C18H17FN4O/c1-3-13-4-10-16(11-5-13)23-12(2)17(21-22-23)18(24)20-15-8-6-14(19)7-9-15/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeySQIZHWQYEHAXEC-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.53
Rot. Bonds4

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

1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 2150369) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID2150369
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C18H17FN4O/c1-3-13-4-10-16(11-5-13)23-12(2)17(21-22-23)18(24)20-15-8-6-14(19)7-9-15/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeySQIZHWQYEHAXEC-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 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 2150369) is 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SQIZHWQYEHAXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-3-13-4-10-16(11-5-13)23-12(2)17(21-22-23)18(24)20-15-8-6-14(19)7-9-15/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
1-(4-ethylphenyl)-N-(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 1-(4-ethylphenyl)-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 2150369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).