1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide

C18H16F2N4O2 — CID 16654298

IUPAC1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-2-15-16(17(25)21-12-6-4-3-5-7-12)22-23-24(15)13-8-10-14(11-9-13)26-18(19)20/h3-11,18H,2H2,1H3,(H,21,25)
InChIKeyMPGXVOBAUBFCIM-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.68
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide (PubChem CID 16654298) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
PubChem CID16654298
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-2-15-16(17(25)21-12-6-4-3-5-7-12)22-23-24(15)13-8-10-14(11-9-13)26-18(19)20/h3-11,18H,2H2,1H3,(H,21,25)
InChIKeyMPGXVOBAUBFCIM-UHFFFAOYSA-N
XLogP3.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(2-fluorophenyl)triazole-4-carboxamide
CID 71758819
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16654274
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxylic acid
CID 43328693
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
CID 16654323
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 16654311
1-[4-(difluoromethoxy)phenyl]-N-(3-hydroxyphenyl)-5-methyltriazole-4-carboxamide
CID 91885855
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]-5-ethyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide (CID 16654298) is 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide is CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide?
The InChIKey is MPGXVOBAUBFCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-2-15-16(17(25)21-12-6-4-3-5-7-12)22-23-24(15)13-8-10-14(11-9-13)26-18(19)20/h3-11,18H,2H2,1H3,(H,21,25).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.68, 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]-5-ethyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 16654298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).