N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide

C20H20F2N4O — CID 55558028

IUPACN-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccc(F)c(F)c3)n2)c(C)c1
InChIInChI=1S/C20H20F2N4O/c1-12-5-8-18(13(2)9-12)26-23-14(3)19(24-26)20(27)25(4)11-15-6-7-16(21)17(22)10-15/h5-10H,11H2,1-4H3
InChIKeyWVLCZDSLWKSHMO-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.74
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide (PubChem CID 55558028) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide
PubChem CID55558028
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccc(F)c(F)c3)n2)c(C)c1
InChIInChI=1S/C20H20F2N4O/c1-12-5-8-18(13(2)9-12)26-23-14(3)19(24-26)20(27)25(4)11-15-6-7-16(21)17(22)10-15/h5-10H,11H2,1-4H3
InChIKeyWVLCZDSLWKSHMO-UHFFFAOYSA-N
XLogP3.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide
CID 9166678
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 26819803
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981381
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46494652
N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
2-(2,4-dimethylphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-propyltriazole-4-carboxamide
CID 51630298
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
2-(3-chlorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]triazole-4-carboxamide
CID 38746531
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981056
1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide
CID 18114358

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide (CID 55558028) is N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccc(F)c(F)c3)n2)c(C)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide?
The InChIKey is WVLCZDSLWKSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-12-5-8-18(13(2)9-12)26-23-14(3)19(24-26)20(27)25(4)11-15-6-7-16(21)17(22)10-15/h5-10H,11H2,1-4H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 55558028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).