2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide

C16H13Br2FN2O3 — CID 55879510

IUPAC2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2FN2O3/c17-10-1-4-12(5-2-10)21-15(22)8-20-16(23)9-24-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyBMHKIHQTIWAYGO-UHFFFAOYSA-N
MW460.10 g/mol
LogP3.48
Rot. Bonds6

About 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide (PubChem CID 55879510) has the molecular formula C16H13Br2FN2O3 and a molecular weight of 460.10 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
PubChem CID55879510
Molecular FormulaC16H13Br2FN2O3
Molecular Weight460.10 g/mol
Exact Mass457.93
IUPAC Name2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2FN2O3/c17-10-1-4-12(5-2-10)21-15(22)8-20-16(23)9-24-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyBMHKIHQTIWAYGO-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.10
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 27772708
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide (CID 55879510) is 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide is O=C(COc1ccc(Br)cc1F)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide?
The InChIKey is BMHKIHQTIWAYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2FN2O3/c17-10-1-4-12(5-2-10)21-15(22)8-20-16(23)9-24-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide?
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide has a molecular weight of 460.10 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 55879510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).