2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

C32H30Br2N2O4 — CID 5180819

IUPAC2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C32H30Br2N2O4/c1-19-13-23(5-9-27(19)35-31(37)17-39-29-11-7-25(33)15-21(29)3)24-6-10-28(20(2)14-24)36-32(38)18-40-30-12-8-26(34)16-22(30)4/h5-16H,17-18H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyBGJIMERFVUCAKO-UHFFFAOYSA-N
MW666.41 g/mol
LogP8.15
Rot. Bonds9

About 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 5180819) has the molecular formula C32H30Br2N2O4 and a molecular weight of 666.41 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
PubChem CID5180819
Molecular FormulaC32H30Br2N2O4
Molecular Weight666.41 g/mol
Exact Mass664.06
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C32H30Br2N2O4/c1-19-13-23(5-9-27(19)35-31(37)17-39-29-11-7-25(33)15-21(29)3)24-6-10-28(20(2)14-24)36-32(38)18-40-30-12-8-26(34)16-22(30)4/h5-16H,17-18H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyBGJIMERFVUCAKO-UHFFFAOYSA-N
XLogP8.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.41
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (CID 5180819) is 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is Cc1cc(-c2ccc(NC(=O)COc3ccc(Br)cc3C)c(C)c2)ccc1NC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is BGJIMERFVUCAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2N2O4/c1-19-13-23(5-9-27(19)35-31(37)17-39-29-11-7-25(33)15-21(29)3)24-6-10-28(20(2)14-24)36-32(38)18-40-30-12-8-26(34)16-22(30)4/h5-16H,17-18H2,1-4H3,(H,35,37)(H,36,38).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 666.41 g/mol, XLogP of 8.15, 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-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 5180819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).