1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide

C19H19FN4O2 — CID 25277558

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C19H19FN4O2/c1-23(11-12-26-16-8-3-2-4-9-16)19(25)18-14-24(22-21-18)13-15-7-5-6-10-17(15)20/h2-10,14H,11-13H2,1H3
InChIKeyBBMJHGAMSOIMEJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.62
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide (PubChem CID 25277558) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
PubChem CID25277558
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C19H19FN4O2/c1-23(11-12-26-16-8-3-2-4-9-16)19(25)18-14-24(22-21-18)13-15-7-5-6-10-17(15)20/h2-10,14H,11-13H2,1H3
InChIKeyBBMJHGAMSOIMEJ-UHFFFAOYSA-N
XLogP2.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
1-[(2,6-difluorophenyl)methyl]-N-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 56885967
1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]triazole-4-carboxamide
CID 42287700
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 42095251
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 25289510
1-[(2,6-difluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyltriazole-4-carboxamide
CID 25461271
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119695557
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide (CID 25277558) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide is CN(CCOc1ccccc1)C(=O)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide?
The InChIKey is BBMJHGAMSOIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-23(11-12-26-16-8-3-2-4-9-16)19(25)18-14-24(22-21-18)13-15-7-5-6-10-17(15)20/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 25277558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).