2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

C34H34Br2N2O4 — CID 3343773

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3c(C)cc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C34H34Br2N2O4/c1-19-11-25(7-9-29(19)37-31(39)17-41-33-21(3)13-27(35)14-22(33)4)26-8-10-30(20(2)12-26)38-32(40)18-42-34-23(5)15-28(36)16-24(34)6/h7-16H,17-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeySSIVNIJQFLYTAP-UHFFFAOYSA-N
MW694.46 g/mol
LogP8.76
Rot. Bonds9

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 3343773) has the molecular formula C34H34Br2N2O4 and a molecular weight of 694.46 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
PubChem CID3343773
Molecular FormulaC34H34Br2N2O4
Molecular Weight694.46 g/mol
Exact Mass692.09
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3c(C)cc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C34H34Br2N2O4/c1-19-11-25(7-9-29(19)37-31(39)17-41-33-21(3)13-27(35)14-22(33)4)26-8-10-30(20(2)12-26)38-32(40)18-42-34-23(5)15-28(36)16-24(34)6/h7-16H,17-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeySSIVNIJQFLYTAP-UHFFFAOYSA-N
XLogP8.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.46
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]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-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178865
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
methyl 3-[4-[4-[(3-methoxy-3-oxopropanoyl)amino]-3-methylphenyl]-2-methylanilino]-3-oxopropanoate
CID 28638271
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (CID 3343773) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is Cc1cc(-c2ccc(NC(=O)COc3c(C)cc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is SSIVNIJQFLYTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Br2N2O4/c1-19-11-25(7-9-29(19)37-31(39)17-41-33-21(3)13-27(35)14-22(33)4)26-8-10-30(20(2)12-26)38-32(40)18-42-34-23(5)15-28(36)16-24(34)6/h7-16H,17-18H2,1-6H3,(H,37,39)(H,38,40).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 694.46 g/mol, XLogP of 8.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 3343773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).