2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

C20H18BrFN4O2 — CID 16582395

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H18BrFN4O2/c21-14-11-13(22)7-8-17(14)28-12-18(27)25-19-20(26-9-3-4-10-26)24-16-6-2-1-5-15(16)23-19/h1-2,5-8,11H,3-4,9-10,12H2,(H,23,25,27)
InChIKeyRFYFIWOJMWSNIV-UHFFFAOYSA-N
MW445.29 g/mol
LogP4.15
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 16582395) has the molecular formula C20H18BrFN4O2 and a molecular weight of 445.29 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID16582395
Molecular FormulaC20H18BrFN4O2
Molecular Weight445.29 g/mol
Exact Mass444.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H18BrFN4O2/c21-14-11-13(22)7-8-17(14)28-12-18(27)25-19-20(26-9-3-4-10-26)24-16-6-2-1-5-15(16)23-19/h1-2,5-8,11H,3-4,9-10,12H2,(H,23,25,27)
InChIKeyRFYFIWOJMWSNIV-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
2-(2-bromo-4-fluorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2627522
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
2-(2,4-difluorophenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 31887225
3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24590248
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-(2-chloro-4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 30267448
2-(2-bromo-4-tert-butylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100513139
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-(2-bromo-4-fluorophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 25357467

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (CID 16582395) is 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is O=C(COc1ccc(F)cc1Br)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is RFYFIWOJMWSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O2/c21-14-11-13(22)7-8-17(14)28-12-18(27)25-19-20(26-9-3-4-10-26)24-16-6-2-1-5-15(16)23-19/h1-2,5-8,11H,3-4,9-10,12H2,(H,23,25,27).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 445.29 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 16582395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).