N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide

C18H16F2N4O — CID 53332635

IUPACN-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3F)nn2)cc1C
InChIInChI=1S/C18H16F2N4O/c1-11-3-6-15(7-12(11)2)24-10-17(22-23-24)18(25)21-9-13-4-5-14(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,21,25)
InChIKeyMXYBZJDLWWMDRP-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide (PubChem CID 53332635) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
PubChem CID53332635
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3F)nn2)cc1C
InChIInChI=1S/C18H16F2N4O/c1-11-3-6-15(7-12(11)2)24-10-17(22-23-24)18(25)21-9-13-4-5-14(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,21,25)
InChIKeyMXYBZJDLWWMDRP-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-N-[(2-ethoxyphenyl)methyl]triazole-4-carboxamide
CID 53332625
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332680
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
1-[1-(3,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580153
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53333384
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985711
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide (CID 53332635) is N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3F)nn2)cc1C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The InChIKey is MXYBZJDLWWMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-3-6-15(7-12(11)2)24-10-17(22-23-24)18(25)21-9-13-4-5-14(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,21,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 53332635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).