N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C19H19BrN2O3 — CID 175043375

IUPACN-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NN=Cc3cccc(Br)c3)c2O1
InChIInChI=1S/C19H19BrN2O3/c1-19(2)10-14-6-4-8-16(18(14)25-19)24-12-17(23)22-21-11-13-5-3-7-15(20)9-13/h3-9,11H,10,12H2,1-2H3,(H,22,23)
InChIKeyONHPFHLKTZWQON-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 175043375) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID175043375
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NN=Cc3cccc(Br)c3)c2O1
InChIInChI=1S/C19H19BrN2O3/c1-19(2)10-14-6-4-8-16(18(14)25-19)24-12-17(23)22-21-11-13-5-3-7-15(20)9-13/h3-9,11H,10,12H2,1-2H3,(H,22,23)
InChIKeyONHPFHLKTZWQON-UHFFFAOYSA-N
XLogP3.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-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

N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864015
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 6142929
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 175043375) is N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is CC1(C)Cc2cccc(OCC(=O)NN=Cc3cccc(Br)c3)c2O1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is ONHPFHLKTZWQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-19(2)10-14-6-4-8-16(18(14)25-19)24-12-17(23)22-21-11-13-5-3-7-15(20)9-13/h3-9,11H,10,12H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 403.28 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 175043375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).