N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide

C23H18N2O5 — CID 36753669

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccccc3)cc1)OCO2
InChIInChI=1S/C23H18N2O5/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)25-23(28)16-7-9-17(10-8-16)24-22(27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyIVLKYZLRQDRRKN-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.12
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide (PubChem CID 36753669) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
PubChem CID36753669
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccccc3)cc1)OCO2
InChIInChI=1S/C23H18N2O5/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)25-23(28)16-7-9-17(10-8-16)24-22(27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyIVLKYZLRQDRRKN-UHFFFAOYSA-N
XLogP4.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-nitrobenzamide
CID 926573
4-[(E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]prop-1-enyl]-N-(2-aminophenyl)benzamide
CID 10094148
N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)benzenecarboximidamide
CID 6257393
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide (CID 36753669) is N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide is CC(=O)c1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccccc3)cc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide?
The InChIKey is IVLKYZLRQDRRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-14(26)18-11-20-21(30-13-29-20)12-19(18)25-23(28)16-7-9-17(10-8-16)24-22(27)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide has a molecular weight of 402.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide is sourced from PubChem (CID 36753669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).