N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide

C19H19FN4O3 — CID 53332680

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)c1
InChIInChI=1S/C19H19FN4O3/c1-12-8-14(4-6-16(12)20)24-11-17(22-23-24)19(25)21-10-13-9-15(26-2)5-7-18(13)27-3/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyWJKFRIPSVUXODT-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.66
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide (PubChem CID 53332680) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
PubChem CID53332680
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)c1
InChIInChI=1S/C19H19FN4O3/c1-12-8-14(4-6-16(12)20)24-11-17(22-23-24)19(25)21-10-13-9-15(26-2)5-7-18(13)27-3/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyWJKFRIPSVUXODT-UHFFFAOYSA-N
XLogP2.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
CID 53332625
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
ethyl 1-(4-fluoro-3-methoxyphenyl)triazole-4-carboxylate
CID 122241254
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide (CID 53332680) is N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
The InChIKey is WJKFRIPSVUXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-8-14(4-6-16(12)20)24-11-17(22-23-24)19(25)21-10-13-9-15(26-2)5-7-18(13)27-3/h4-9,11H,10H2,1-3H3,(H,21,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 53332680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).