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

C16H13Br2FN2O3 — CID 34648957

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H13Br2FN2O3/c17-11-3-1-2-4-13(11)21-15(22)8-20-16(23)9-24-14-6-5-10(19)7-12(14)18/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyGCYXTLRUTRYLOX-UHFFFAOYSA-N
MW460.10 g/mol
LogP3.48
Rot. Bonds6

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

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide (PubChem CID 34648957) has the molecular formula C16H13Br2FN2O3 and a molecular weight of 460.10 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
PubChem CID34648957
Molecular FormulaC16H13Br2FN2O3
Molecular Weight460.10 g/mol
Exact Mass457.93
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H13Br2FN2O3/c17-11-3-1-2-4-13(11)21-15(22)8-20-16(23)9-24-14-6-5-10(19)7-12(14)18/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyGCYXTLRUTRYLOX-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-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 34648970
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 55424504
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide (CID 34648957) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide is O=C(COc1ccc(F)cc1Br)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide?
The InChIKey is GCYXTLRUTRYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2FN2O3/c17-11-3-1-2-4-13(11)21-15(22)8-20-16(23)9-24-14-6-5-10(19)7-12(14)18/h1-7H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-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-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 34648957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).