3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

C18H17NO2 — CID 886450

IUPAC3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c1-13-15-9-5-6-10-16(15)21-17(13)18(20)19-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyJVCPSZQKSNVHKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.71
Rot. Bonds4

About 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 886450) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID886450
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)oc2ccccc12
InChIInChI=1S/C18H17NO2/c1-13-15-9-5-6-10-16(15)21-17(13)18(20)19-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyJVCPSZQKSNVHKC-UHFFFAOYSA-N
XLogP3.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 886450) is 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JVCPSZQKSNVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-15-9-5-6-10-16(15)21-17(13)18(20)19-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 886450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).