3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

C20H19NO2 — CID 3563853

IUPAC3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H19NO2/c1-13-15-9-4-5-12-18(15)23-19(13)20(22)21-17-11-6-8-14-7-2-3-10-16(14)17/h2-5,7,9-10,12,17H,6,8,11H2,1H3,(H,21,22)
InChIKeyIVJSOEWOSSSYHP-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.55
Rot. Bonds2

About 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (PubChem CID 3563853) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
PubChem CID3563853
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H19NO2/c1-13-15-9-4-5-12-18(15)23-19(13)20(22)21-17-11-6-8-14-7-2-3-10-16(14)17/h2-5,7,9-10,12,17H,6,8,11H2,1H3,(H,21,22)
InChIKeyIVJSOEWOSSSYHP-UHFFFAOYSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide (CID 3563853) is 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
The InChIKey is IVJSOEWOSSSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-15-9-4-5-12-18(15)23-19(13)20(22)21-17-11-6-8-14-7-2-3-10-16(14)17/h2-5,7,9-10,12,17H,6,8,11H2,1H3,(H,21,22).
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).