2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C15H18BrClN2O3 — CID 18156983

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18BrClN2O3/c16-12-9-11(17)3-4-13(12)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyIFNQUTCGJGBTEA-UHFFFAOYSA-N
MW389.68 g/mol
LogP2.61
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 18156983) has the molecular formula C15H18BrClN2O3 and a molecular weight of 389.68 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID18156983
Molecular FormulaC15H18BrClN2O3
Molecular Weight389.68 g/mol
Exact Mass388.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18BrClN2O3/c16-12-9-11(17)3-4-13(12)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyIFNQUTCGJGBTEA-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-ethoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78794400
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
tert-butyl N-[3-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919320
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 18156983) is 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is O=C(COc1ccc(Cl)cc1Br)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is IFNQUTCGJGBTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O3/c16-12-9-11(17)3-4-13(12)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 389.68 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 18156983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).