N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide

C28H22N2O4 — CID 2559897

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22N2O4/c31-27(29-21-15-16-24-25(17-21)34-18-33-24)22-13-7-8-14-23(22)30-28(32)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17,26H,18H2,(H,29,31)(H,30,32)
InChIKeyFERHBAQTDPPBQO-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.44
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide (PubChem CID 2559897) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
PubChem CID2559897
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22N2O4/c31-27(29-21-15-16-24-25(17-21)34-18-33-24)22-13-7-8-14-23(22)30-28(32)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17,26H,18H2,(H,29,31)(H,30,32)
InChIKeyFERHBAQTDPPBQO-UHFFFAOYSA-N
XLogP5.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide
CID 2516875
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
dimethyl (E)-2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]but-2-enedioate
CID 168569415
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 30093549
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide (CID 2559897) is N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide?
The InChIKey is FERHBAQTDPPBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c31-27(29-21-15-16-24-25(17-21)34-18-33-24)22-13-7-8-14-23(22)30-28(32)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17,26H,18H2,(H,29,31)(H,30,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide has a molecular weight of 450.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide is sourced from PubChem (CID 2559897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).