N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide

C19H19Br2ClN2O2 — CID 46501938

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
SMILESCc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1Br
InChIInChI=1S/C19H19Br2ClN2O2/c1-11(2)14-8-15(20)12(3)18(21)19(14)26-10-17(25)24-23-9-13-6-4-5-7-16(13)22/h4-9,11H,10H2,1-3H3,(H,24,25)/b23-9+
InChIKeyGRBRWGSTMDCJCV-NUGSKGIGSA-N
MW502.63 g/mol
LogP5.83
Rot. Bonds6

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide (PubChem CID 46501938) has the molecular formula C19H19Br2ClN2O2 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
PubChem CID46501938
Molecular FormulaC19H19Br2ClN2O2
Molecular Weight502.63 g/mol
Exact Mass499.95
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
SMILESCc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1Br
InChIInChI=1S/C19H19Br2ClN2O2/c1-11(2)14-8-15(20)12(3)18(21)19(14)26-10-17(25)24-23-9-13-6-4-5-7-16(13)22/h4-9,11H,10H2,1-3H3,(H,24,25)/b23-9+
InChIKeyGRBRWGSTMDCJCV-NUGSKGIGSA-N
XLogP5.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)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-[2-[[[2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 4615385
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide
CID 6262375
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6280107
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6001406
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135644774
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
CID 19190225
2-[(E)-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190270
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4922179
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716692
N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 2246193
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide (CID 46501938) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide is Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1Br.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide?
The InChIKey is GRBRWGSTMDCJCV-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H19Br2ClN2O2/c1-11(2)14-8-15(20)12(3)18(21)19(14)26-10-17(25)24-23-9-13-6-4-5-7-16(13)22/h4-9,11H,10H2,1-3H3,(H,24,25)/b23-9+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide has a molecular weight of 502.63 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 46501938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).