N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

C17H15FN4O — CID 38957071

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H15FN4O/c1-12-2-8-15(9-3-12)22-11-16(20-21-22)17(23)19-10-13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyOEJQPYLVAJTZOT-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 38957071) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID38957071
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H15FN4O/c1-12-2-8-15(9-3-12)22-11-16(20-21-22)17(23)19-10-13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyOEJQPYLVAJTZOT-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 38957071) is N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is OEJQPYLVAJTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12-2-8-15(9-3-12)22-11-16(20-21-22)17(23)19-10-13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 38957071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).