1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide

C20H20F2N4O2 — CID 16654323

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N4O2/c1-4-17-18(19(27)23-16-10-5-12(2)11-13(16)3)24-25-26(17)14-6-8-15(9-7-14)28-20(21)22/h5-11,20H,4H2,1-3H3,(H,23,27)
InChIKeyDTXBWXNEWFCJJM-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.30
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide (PubChem CID 16654323) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
PubChem CID16654323
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N4O2/c1-4-17-18(19(27)23-16-10-5-12(2)11-13(16)3)24-25-26(17)14-6-8-15(9-7-14)28-20(21)22/h5-11,20H,4H2,1-3H3,(H,23,27)
InChIKeyDTXBWXNEWFCJJM-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(2-fluorophenyl)triazole-4-carboxamide
CID 71758819
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16654274
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 16654361

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide (CID 16654323) is 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide?
The InChIKey is DTXBWXNEWFCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-4-17-18(19(27)23-16-10-5-12(2)11-13(16)3)24-25-26(17)14-6-8-15(9-7-14)28-20(21)22/h5-11,20H,4H2,1-3H3,(H,23,27).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide is sourced from PubChem (CID 16654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).