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

C30H22Br2Cl4N2O4 — CID 19628023

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Br)c(C)c2)ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C30H22Br2Cl4N2O4/c1-15-7-17(3-5-25(15)37-27(39)13-41-29-21(31)9-19(33)11-23(29)35)18-4-6-26(16(2)8-18)38-28(40)14-42-30-22(32)10-20(34)12-24(30)36/h3-12H,13-14H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyGIWCQOQWAXJDBD-UHFFFAOYSA-N
MW776.14 g/mol
LogP10.14
Rot. Bonds9

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

2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 19628023) has the molecular formula C30H22Br2Cl4N2O4 and a molecular weight of 776.14 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
PubChem CID19628023
Molecular FormulaC30H22Br2Cl4N2O4
Molecular Weight776.14 g/mol
Exact Mass771.87
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Br)c(C)c2)ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C30H22Br2Cl4N2O4/c1-15-7-17(3-5-25(15)37-27(39)13-41-29-21(31)9-19(33)11-23(29)35)18-4-6-26(16(2)8-18)38-28(40)14-42-30-22(32)10-20(34)12-24(30)36/h3-12H,13-14H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyGIWCQOQWAXJDBD-UHFFFAOYSA-N
XLogP10.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.14
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 17095298
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 17095292
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 3343773
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 2275203
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (CID 19628023) is 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is Cc1cc(-c2ccc(NC(=O)COc3c(Cl)cc(Cl)cc3Br)c(C)c2)ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is GIWCQOQWAXJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Br2Cl4N2O4/c1-15-7-17(3-5-25(15)37-27(39)13-41-29-21(31)9-19(33)11-23(29)35)18-4-6-26(16(2)8-18)38-28(40)14-42-30-22(32)10-20(34)12-24(30)36/h3-12H,13-14H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 776.14 g/mol, XLogP of 10.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 19628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).