N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide

C22H16Br2N2O4 — CID 6872143

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCO2)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H16Br2N2O4/c23-17-6-2-15(3-7-17)22(28,16-4-8-18(24)9-5-16)21(27)26-25-12-14-1-10-19-20(11-14)30-13-29-19/h1-12,28H,13H2,(H,26,27)/b25-12+
InChIKeyDFKMBXNNMMBHKU-BRJLIKDPSA-N
MW532.19 g/mol
LogP4.33
Rot. Bonds5

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide (PubChem CID 6872143) has the molecular formula C22H16Br2N2O4 and a molecular weight of 532.19 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide
PubChem CID6872143
Molecular FormulaC22H16Br2N2O4
Molecular Weight532.19 g/mol
Exact Mass529.95
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide
SMILESO=C(N/N=C/c1ccc2c(c1)OCO2)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H16Br2N2O4/c23-17-6-2-15(3-7-17)22(28,16-4-8-18(24)9-5-16)21(27)26-25-12-14-1-10-19-20(11-14)30-13-29-19/h1-12,28H,13H2,(H,26,27)/b25-12+
InChIKeyDFKMBXNNMMBHKU-BRJLIKDPSA-N
XLogP4.33
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.19
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818839
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-bromo-2-hydroxybenzamide
CID 6062036
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
(2R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromoanilino)butanamide
CID 6989351
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 3988496
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6902013
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
N-(1,3-benzodioxol-5-yl)-N'-(1,3-benzodioxol-5-ylmethylideneamino)oxamide
CID 3937826
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2643480
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide (CID 6872143) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide is O=C(N/N=C/c1ccc2c(c1)OCO2)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide?
The InChIKey is DFKMBXNNMMBHKU-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H16Br2N2O4/c23-17-6-2-15(3-7-17)22(28,16-4-8-18(24)9-5-16)21(27)26-25-12-14-1-10-19-20(11-14)30-13-29-19/h1-12,28H,13H2,(H,26,27)/b25-12+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide has a molecular weight of 532.19 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-bis(4-bromophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 6872143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).