1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

C18H17FN4O — CID 53332669

IUPAC1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c1-12-3-5-14(6-4-12)10-20-18(24)17-11-23(22-21-17)15-7-8-16(19)13(2)9-15/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyLAQLURCBJTWMPM-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 53332669) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID53332669
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1
InChIInChI=1S/C18H17FN4O/c1-12-3-5-14(6-4-12)10-20-18(24)17-11-23(22-21-17)15-7-8-16(19)13(2)9-15/h3-9,11H,10H2,1-2H3,(H,20,24)
InChIKeyLAQLURCBJTWMPM-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332680
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
CID 13413922
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (CID 53332669) is 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is LAQLURCBJTWMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-3-5-14(6-4-12)10-20-18(24)17-11-23(22-21-17)15-7-8-16(19)13(2)9-15/h3-9,11H,10H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 53332669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).