2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide

C30H24Br4N2O4 — CID 22306435

IUPAC2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1Br)c1ccccc1NCCN(C(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C30H24Br4N2O4/c31-20-10-12-28(24(33)16-20)39-18-27(37)23-8-4-5-9-26(23)35-14-15-36(22-6-2-1-3-7-22)30(38)19-40-29-13-11-21(32)17-25(29)34/h1-13,16-17,35H,14-15,18-19H2
InChIKeySYFNPSYXVIZQKZ-UHFFFAOYSA-N
MW796.15 g/mol
LogP8.52
Rot. Bonds12

About 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide

2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide (PubChem CID 22306435) has the molecular formula C30H24Br4N2O4 and a molecular weight of 796.15 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide
PubChem CID22306435
Molecular FormulaC30H24Br4N2O4
Molecular Weight796.15 g/mol
Exact Mass791.85
IUPAC Name2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide
SMILESO=C(COc1ccc(Br)cc1Br)c1ccccc1NCCN(C(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C30H24Br4N2O4/c31-20-10-12-28(24(33)16-20)39-18-27(37)23-8-4-5-9-26(23)35-14-15-36(22-6-2-1-3-7-22)30(38)19-40-29-13-11-21(32)17-25(29)34/h1-13,16-17,35H,14-15,18-19H2
InChIKeySYFNPSYXVIZQKZ-UHFFFAOYSA-N
XLogP8.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.15
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[2-[2-(2-phenoxyacetyl)anilino]ethyl]-N-phenylacetamide
CID 22306351
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(N-[2-(4-bromo-2-tert-butylphenoxy)acetyl]anilino)ethyl]-N-phenylacetamide
CID 17052221
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-(2,4-dibromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2485620
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
3-[cyclopropyl-[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 60845588
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide (CID 22306435) is 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide is O=C(COc1ccc(Br)cc1Br)c1ccccc1NCCN(C(=O)COc1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide?
The InChIKey is SYFNPSYXVIZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Br4N2O4/c31-20-10-12-28(24(33)16-20)39-18-27(37)23-8-4-5-9-26(23)35-14-15-36(22-6-2-1-3-7-22)30(38)19-40-29-13-11-21(32)17-25(29)34/h1-13,16-17,35H,14-15,18-19H2.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide?
2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide has a molecular weight of 796.15 g/mol, XLogP of 8.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[2-[2-[2-(2,4-dibromophenoxy)acetyl]anilino]ethyl]-N-phenylacetamide is sourced from PubChem (CID 22306435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).