N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide

C18H15F3N4O2 — CID 154797601

IUPACN-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)NCC(F)(F)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-4-2-3-14(9-15)25-10-16(23-24-25)17(26)22-11-18(20,21)12-5-7-13(19)8-6-12/h2-10H,11H2,1H3,(H,22,26)
InChIKeyBEBZADSFZXVAHH-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.94
Rot. Bonds6

About N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide

N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide (PubChem CID 154797601) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
PubChem CID154797601
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)NCC(F)(F)c3ccc(F)cc3)nn2)c1
InChIInChI=1S/C18H15F3N4O2/c1-27-15-4-2-3-14(9-15)25-10-16(23-24-25)17(26)22-11-18(20,21)12-5-7-13(19)8-6-12/h2-10H,11H2,1H3,(H,22,26)
InChIKeyBEBZADSFZXVAHH-UHFFFAOYSA-N
XLogP2.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone
CID 62580870
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
1-(3-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 142705657
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
1-(3-ethylphenyl)triazole-4-carbohydrazide
CID 112708382
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide (CID 154797601) is N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide is COc1cccc(-n2cc(C(=O)NCC(F)(F)c3ccc(F)cc3)nn2)c1.
What is the InChIKey of N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is BEBZADSFZXVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-27-15-4-2-3-14(9-15)25-10-16(23-24-25)17(26)22-11-18(20,21)12-5-7-13(19)8-6-12/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide?
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 154797601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).