2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide

C21H17NO2 — CID 1243323

IUPAC2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
InChIInChI=1S/C21H17NO2/c23-20(22-13-15-6-2-1-3-7-15)12-17-14-24-19-11-10-16-8-4-5-9-18(16)21(17)19/h1-11,14H,12-13H2,(H,22,23)
InChIKeyQBYDAKSVDNWPRY-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.44
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide

2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide (PubChem CID 1243323) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide
PubChem CID1243323
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
InChIInChI=1S/C21H17NO2/c23-20(22-13-15-6-2-1-3-7-15)12-17-14-24-19-11-10-16-8-4-5-9-18(16)21(17)19/h1-11,14H,12-13H2,(H,22,23)
InChIKeyQBYDAKSVDNWPRY-UHFFFAOYSA-N
XLogP4.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 44623954
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acrylamide
CID 11723593
N-{2-[5-Methoxy-2-(4-methoxy-benzyl)-benzofuran-3-yl]-ethyl}-acetamide
CID 11824365
N-(2-Naphtho[2,1-b]furan-9-yl-ethyl)-acetamide
CID 15340631
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide
CID 18782973
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide
CID 18783048
(3S,6S)-6-benzhydryl-N-(1-benzofuran-5-ylmethyl)oxan-3-amine
CID 101897892
But-2-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 11110447
N-[2-[2-[3-(hydroxymethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl]ethyl]acetamide
CID 76310117

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide (CID 1243323) is 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide?
The InChIKey is QBYDAKSVDNWPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20(22-13-15-6-2-1-3-7-15)12-17-14-24-19-11-10-16-8-4-5-9-18(16)21(17)19/h1-11,14H,12-13H2,(H,22,23).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide?
2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide has a molecular weight of 315.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-benzylacetamide is sourced from PubChem (CID 1243323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).