2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide

C16H13BrClFN2O3 — CID 16528162

IUPAC2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrClFN2O3/c17-10-1-6-14(13(18)7-10)24-9-16(23)20-8-15(22)21-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyJDHIMLMEBLXMOP-UHFFFAOYSA-N
MW415.65 g/mol
LogP3.38
Rot. Bonds6

About 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 16528162) has the molecular formula C16H13BrClFN2O3 and a molecular weight of 415.65 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID16528162
Molecular FormulaC16H13BrClFN2O3
Molecular Weight415.65 g/mol
Exact Mass413.98
IUPAC Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrClFN2O3/c17-10-1-6-14(13(18)7-10)24-9-16(23)20-8-15(22)21-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyJDHIMLMEBLXMOP-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 27772708
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365453

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 16528162) is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(Br)cc1Cl)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JDHIMLMEBLXMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O3/c17-10-1-6-14(13(18)7-10)24-9-16(23)20-8-15(22)21-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 415.65 g/mol, XLogP of 3.38, 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-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16528162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).