3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide

C18H18N2O3 — CID 110795014

IUPAC3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H18N2O3/c1-12(21)20-16-4-2-3-15(10-16)18(22)19-11-13-5-6-17-14(9-13)7-8-23-17/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWTIHBSTDFULEI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.51
Rot. Bonds4

About 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide

3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (PubChem CID 110795014) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
PubChem CID110795014
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H18N2O3/c1-12(21)20-16-4-2-3-15(10-16)18(22)19-11-13-5-6-17-14(9-13)7-8-23-17/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWTIHBSTDFULEI-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430226
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(4-acetamidophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18154098
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (CID 110795014) is 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is CC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The InChIKey is QWTIHBSTDFULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(21)20-16-4-2-3-15(10-16)18(22)19-11-13-5-6-17-14(9-13)7-8-23-17/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is sourced from PubChem (CID 110795014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).