2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide

C28H20Br2Cl2N2O5 — CID 5229732

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)cc1
InChIInChI=1S/C28H20Br2Cl2N2O5/c29-23-13-17(31)1-11-25(23)37-15-27(35)33-19-3-7-21(8-4-19)39-22-9-5-20(6-10-22)34-28(36)16-38-26-12-2-18(32)14-24(26)30/h1-14H,15-16H2,(H,33,35)(H,34,36)
InChIKeyAEXNPOVIHVOUNF-UHFFFAOYSA-N
MW695.19 g/mol
LogP8.35
Rot. Bonds10

About 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide (PubChem CID 5229732) has the molecular formula C28H20Br2Cl2N2O5 and a molecular weight of 695.19 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
PubChem CID5229732
Molecular FormulaC28H20Br2Cl2N2O5
Molecular Weight695.19 g/mol
Exact Mass691.91
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)cc1
InChIInChI=1S/C28H20Br2Cl2N2O5/c29-23-13-17(31)1-11-25(23)37-15-27(35)33-19-3-7-21(8-4-19)39-22-9-5-20(6-10-22)34-28(36)16-38-26-12-2-18(32)14-24(26)30/h1-14H,15-16H2,(H,33,35)(H,34,36)
InChIKeyAEXNPOVIHVOUNF-UHFFFAOYSA-N
XLogP8.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.19
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340191
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 40796730
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide (CID 5229732) is 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide?
The InChIKey is AEXNPOVIHVOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Br2Cl2N2O5/c29-23-13-17(31)1-11-25(23)37-15-27(35)33-19-3-7-21(8-4-19)39-22-9-5-20(6-10-22)34-28(36)16-38-26-12-2-18(32)14-24(26)30/h1-14H,15-16H2,(H,33,35)(H,34,36).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide has a molecular weight of 695.19 g/mol, XLogP of 8.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide is sourced from PubChem (CID 5229732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).