2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C16H12Br2F2N2O3 — CID 27772708

IUPAC2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12Br2F2N2O3/c17-9-1-4-14(11(18)5-9)25-8-16(24)21-7-15(23)22-10-2-3-12(19)13(20)6-10/h1-6H,7-8H2,(H,21,24)(H,22,23)
InChIKeyDGWZAGSGKQTERN-UHFFFAOYSA-N
MW478.09 g/mol
LogP3.62
Rot. Bonds6

About 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 27772708) has the molecular formula C16H12Br2F2N2O3 and a molecular weight of 478.09 g/mol. Its IUPAC name is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID27772708
Molecular FormulaC16H12Br2F2N2O3
Molecular Weight478.09 g/mol
Exact Mass475.92
IUPAC Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12Br2F2N2O3/c17-9-1-4-14(11(18)5-9)25-8-16(24)21-7-15(23)22-10-2-3-12(19)13(20)6-10/h1-6H,7-8H2,(H,21,24)(H,22,23)
InChIKeyDGWZAGSGKQTERN-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.09
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
N-(3,4-difluorophenyl)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 7930227
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 34301713
2-(2,4-dibromophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 981216
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 27772708) is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is O=C(COc1ccc(Br)cc1Br)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is DGWZAGSGKQTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2F2N2O3/c17-9-1-4-14(11(18)5-9)25-8-16(24)21-7-15(23)22-10-2-3-12(19)13(20)6-10/h1-6H,7-8H2,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 478.09 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 27772708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).