N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide

C32H26Br2Cl4N2O4 — CID 17096627

IUPACN-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)N(CCN(Cc1ccccc1)C(=O)COc1c(Cl)cc(Cl)cc1Br)Cc1ccccc1
InChIInChI=1S/C32H26Br2Cl4N2O4/c33-25-13-23(35)15-27(37)31(25)43-19-29(41)39(17-21-7-3-1-4-8-21)11-12-40(18-22-9-5-2-6-10-22)30(42)20-44-32-26(34)14-24(36)16-28(32)38/h1-10,13-16H,11-12,17-20H2
InChIKeyCKEUXBYYEWTLKO-UHFFFAOYSA-N
MW804.19 g/mol
LogP9.34
Rot. Bonds13

About N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide

N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide (PubChem CID 17096627) has the molecular formula C32H26Br2Cl4N2O4 and a molecular weight of 804.19 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
PubChem CID17096627
Molecular FormulaC32H26Br2Cl4N2O4
Molecular Weight804.19 g/mol
Exact Mass799.90
IUPAC NameN-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)N(CCN(Cc1ccccc1)C(=O)COc1c(Cl)cc(Cl)cc1Br)Cc1ccccc1
InChIInChI=1S/C32H26Br2Cl4N2O4/c33-25-13-23(35)15-27(37)31(25)43-19-29(41)39(17-21-7-3-1-4-8-21)11-12-40(18-22-9-5-2-6-10-22)30(42)20-44-32-26(34)14-24(36)16-28(32)38/h1-10,13-16H,11-12,17-20H2
InChIKeyCKEUXBYYEWTLKO-UHFFFAOYSA-N
XLogP9.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.19
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)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-benzyl-N-[2-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]ethyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504840
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
CID 28642354
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
N-benzyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenylethyl)acetamide
CID 23797082
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]ethyl]-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17190037
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 17052222

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide (CID 17096627) is N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide is O=C(COc1c(Cl)cc(Cl)cc1Br)N(CCN(Cc1ccccc1)C(=O)COc1c(Cl)cc(Cl)cc1Br)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide?
The InChIKey is CKEUXBYYEWTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Br2Cl4N2O4/c33-25-13-23(35)15-27(37)31(25)43-19-29(41)39(17-21-7-3-1-4-8-21)11-12-40(18-22-9-5-2-6-10-22)30(42)20-44-32-26(34)14-24(36)16-28(32)38/h1-10,13-16H,11-12,17-20H2.
What are the key properties of N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide?
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide has a molecular weight of 804.19 g/mol, XLogP of 9.34, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide is sourced from PubChem (CID 17096627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).