N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide

C18H16N4O2 — CID 126851544

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCC1COc2ccccc21)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-18(16-11-20-22(21-16)14-6-2-1-3-7-14)19-10-13-12-24-17-9-5-4-8-15(13)17/h1-9,11,13H,10,12H2,(H,19,23)
InChIKeyRMISORFUSMJVLI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.17
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide (PubChem CID 126851544) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
PubChem CID126851544
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(NCC1COc2ccccc21)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-18(16-11-20-22(21-16)14-6-2-1-3-7-14)19-10-13-12-24-17-9-5-4-8-15(13)17/h1-9,11,13H,10,12H2,(H,19,23)
InChIKeyRMISORFUSMJVLI-UHFFFAOYSA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 103548715
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N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
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N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
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N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
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2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
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N-(2-azidoethyl)-2-phenyltriazole-4-carboxamide
CID 61342677

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide (CID 126851544) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide is O=C(NCC1COc2ccccc21)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is RMISORFUSMJVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(16-11-20-22(21-16)14-6-2-1-3-7-14)19-10-13-12-24-17-9-5-4-8-15(13)17/h1-9,11,13H,10,12H2,(H,19,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 126851544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).