1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide

C19H18F2N4O2 — CID 134046082

IUPAC1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18F2N4O2/c20-19(21)27-16-8-6-14(7-9-16)10-11-22-18(26)17-13-25(24-23-17)12-15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,22,26)
InChIKeyQMYOEWACMCWWBG-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.90
Rot. Bonds8

About 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide

1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide (PubChem CID 134046082) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
PubChem CID134046082
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18F2N4O2/c20-19(21)27-16-8-6-14(7-9-16)10-11-22-18(26)17-13-25(24-23-17)12-15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,22,26)
InChIKeyQMYOEWACMCWWBG-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-(2,2-diethoxyethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 47089082
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
CID 37089479
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
1-benzyltriazole-4-carbonyl chloride
CID 87720228
2-[[5-[4-(difluoromethoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 19643184
1-(2-aminoethyl)-N-[[3-(difluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 70763522
N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide (CID 134046082) is 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide is O=C(NCCc1ccc(OC(F)F)cc1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
The InChIKey is QMYOEWACMCWWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-19(21)27-16-8-6-14(7-9-16)10-11-22-18(26)17-13-25(24-23-17)12-15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,22,26).
What are the key properties of 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide?
1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 134046082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).