N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide

C20H19FN4O2 — CID 45180530

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O2/c1-24(12-16-10-14-6-3-5-9-19(14)27-16)20(26)18-13-25(23-22-18)11-15-7-2-4-8-17(15)21/h2-9,13,16H,10-12H2,1H3
InChIKeyMNYAPZUTVONWPJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.54
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 45180530) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID45180530
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O2/c1-24(12-16-10-14-6-3-5-9-19(14)27-16)20(26)18-13-25(23-22-18)11-15-7-2-4-8-17(15)21/h2-9,13,16H,10-12H2,1H3
InChIKeyMNYAPZUTVONWPJ-UHFFFAOYSA-N
XLogP2.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide (CID 45180530) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide is CN(CC1Cc2ccccc2O1)C(=O)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is MNYAPZUTVONWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-24(12-16-10-14-6-3-5-9-19(14)27-16)20(26)18-13-25(23-22-18)11-15-7-2-4-8-17(15)21/h2-9,13,16H,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 45180530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).