N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide

C19H18Br2N2O3 — CID 136611802

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c2c1CCC2
InChIInChI=1S/C19H18Br2N2O3/c1-11-5-6-17(14-4-2-3-13(11)14)26-10-18(24)23-22-9-12-7-15(20)19(25)16(21)8-12/h5-9,25H,2-4,10H2,1H3,(H,23,24)
InChIKeyHVOKFDPTRLENEM-UHFFFAOYSA-N
MW482.17 g/mol
LogP4.24
Rot. Bonds5

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide (PubChem CID 136611802) has the molecular formula C19H18Br2N2O3 and a molecular weight of 482.17 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
PubChem CID136611802
Molecular FormulaC19H18Br2N2O3
Molecular Weight482.17 g/mol
Exact Mass479.97
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c2c1CCC2
InChIInChI=1S/C19H18Br2N2O3/c1-11-5-6-17(14-4-2-3-13(11)14)26-10-18(24)23-22-9-12-7-15(20)19(25)16(21)8-12/h5-9,25H,2-4,10H2,1H3,(H,23,24)
InChIKeyHVOKFDPTRLENEM-UHFFFAOYSA-N
XLogP4.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.17
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide 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

2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136511083
2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 5205408
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 135825113
N-[(E)-(3-bromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135688423
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 135605761
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 136791940
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-difluorophenoxy)acetamide
CID 135900725
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide (CID 136611802) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide is Cc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)c2c1CCC2.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide?
The InChIKey is HVOKFDPTRLENEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Br2N2O3/c1-11-5-6-17(14-4-2-3-13(11)14)26-10-18(24)23-22-9-12-7-15(20)19(25)16(21)8-12/h5-9,25H,2-4,10H2,1H3,(H,23,24).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide has a molecular weight of 482.17 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetamide is sourced from PubChem (CID 136611802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).