N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide

C25H23Br2ClN2O4 — CID 166352714

IUPACN-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide
SMILESCN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C(=O)C(=O)N(C)CC(O)c1ccccc1Br
InChIInChI=1S/C25H23Br2ClN2O4/c1-29(24(32)25(33)30(2)15-22(31)20-8-3-4-9-21(20)27)14-16-10-11-17(26)12-23(16)34-19-7-5-6-18(28)13-19/h3-13,22,31H,14-15H2,1-2H3
InChIKeyVNHTUEPQKRUXGO-UHFFFAOYSA-N
MW610.73 g/mol
LogP5.81
Rot. Bonds7

About N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide

N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide (PubChem CID 166352714) has the molecular formula C25H23Br2ClN2O4 and a molecular weight of 610.73 g/mol. Its IUPAC name is N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide
PubChem CID166352714
Molecular FormulaC25H23Br2ClN2O4
Molecular Weight610.73 g/mol
Exact Mass607.97
IUPAC NameN-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide
SMILESCN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C(=O)C(=O)N(C)CC(O)c1ccccc1Br
InChIInChI=1S/C25H23Br2ClN2O4/c1-29(24(32)25(33)30(2)15-22(31)20-8-3-4-9-21(20)27)14-16-10-11-17(26)12-23(16)34-19-7-5-6-18(28)13-19/h3-13,22,31H,14-15H2,1-2H3
InChIKeyVNHTUEPQKRUXGO-UHFFFAOYSA-N
XLogP5.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide 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

4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
4-[[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl-methylcarbamoyl]amino]-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 166346152
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N,3,4-trimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 166353509
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
N-[[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methyl]-2-[2-(5-methoxy-2-methylphenyl)pyrrolidin-1-yl]-N-methyl-2-oxoacetamide
CID 166345607
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
2-[3-[(4-bromophenyl)-hydroxymethyl]piperidin-1-yl]-N-[[4-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methyl]-N-methyl-2-oxoacetamide
CID 166348171
tert-butyl 3-[[[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]methyl-methylcarbamoyl]amino]-2,3-dihydro-1H-indene-1-carboxylate
CID 166348257
tert-butyl 1-[[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]methyl-methylcarbamoyl]-3-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxylate
CID 167946959
5-bromo-2-(3-chlorophenoxy)benzenecarbothioamide
CID 114892206

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide?
The IUPAC name of N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide (CID 166352714) is N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide.
What is the SMILES notation for N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide?
The canonical SMILES for N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide is CN(Cc1ccc(Br)cc1Oc1cccc(Cl)c1)C(=O)C(=O)N(C)CC(O)c1ccccc1Br.
What is the InChIKey of N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide?
The InChIKey is VNHTUEPQKRUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Br2ClN2O4/c1-29(24(32)25(33)30(2)15-22(31)20-8-3-4-9-21(20)27)14-16-10-11-17(26)12-23(16)34-19-7-5-6-18(28)13-19/h3-13,22,31H,14-15H2,1-2H3.
What are the key properties of N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide?
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide has a molecular weight of 610.73 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]-N'-[2-(2-bromophenyl)-2-hydroxyethyl]-N,N'-dimethyloxamide is sourced from PubChem (CID 166352714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).