2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide

C23H17Br2NO3 — CID 141414751

IUPAC2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide
SMILESO=C=C(COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H17Br2NO3/c24-19-6-4-17(5-7-19)18(14-27)15-29-22-10-8-21(9-11-22)26-23(28)13-16-2-1-3-20(25)12-16/h1-12H,13,15H2,(H,26,28)
InChIKeyGTNKDYCMFXDLRM-UHFFFAOYSA-N
MW515.20 g/mol
LogP5.69
Rot. Bonds7

About 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide

2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide (PubChem CID 141414751) has the molecular formula C23H17Br2NO3 and a molecular weight of 515.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide
PubChem CID141414751
Molecular FormulaC23H17Br2NO3
Molecular Weight515.20 g/mol
Exact Mass512.96
IUPAC Name2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide
SMILESO=C=C(COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H17Br2NO3/c24-19-6-4-17(5-7-19)18(14-27)15-29-22-10-8-21(9-11-22)26-23(28)13-16-2-1-3-20(25)12-16/h1-12H,13,15H2,(H,26,28)
InChIKeyGTNKDYCMFXDLRM-UHFFFAOYSA-N
XLogP5.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.20
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 60616164
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
[4-[[4-[[2-(3-bromophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930681
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide (CID 141414751) is 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide is O=C=C(COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide?
The InChIKey is GTNKDYCMFXDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2NO3/c24-19-6-4-17(5-7-19)18(14-27)15-29-22-10-8-21(9-11-22)26-23(28)13-16-2-1-3-20(25)12-16/h1-12H,13,15H2,(H,26,28).
What are the key properties of 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide?
2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide has a molecular weight of 515.20 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[4-[2-(4-bromophenyl)-3-oxoprop-2-enoxy]phenyl]acetamide is sourced from PubChem (CID 141414751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).