2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

C24H27ClF2N4O3 — CID 144811482

IUPAC2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
SMILESNC(=O)C(F)(F)c1cc2cc(Cl)cnn2c1.c1cc2c(cc1CCCN1CCCC1)OCCO2
InChIInChI=1S/C15H21NO2.C9H6ClF2N3O/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;10-6-2-7-1-5(4-15(7)14-3-6)9(11,12)8(13)16/h5-6,12H,1-4,7-11H2;1-4H,(H2,13,16)
InChIKeyQXFMXLXSXSYKJO-UHFFFAOYSA-N
MW492.95 g/mol
LogP4.05
Rot. Bonds6

About 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (PubChem CID 144811482) has the molecular formula C24H27ClF2N4O3 and a molecular weight of 492.95 g/mol. Its IUPAC name is 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
PubChem CID144811482
Molecular FormulaC24H27ClF2N4O3
Molecular Weight492.95 g/mol
Exact Mass492.17
IUPAC Name2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
SMILESNC(=O)C(F)(F)c1cc2cc(Cl)cnn2c1.c1cc2c(cc1CCCN1CCCC1)OCCO2
InChIInChI=1S/C15H21NO2.C9H6ClF2N3O/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;10-6-2-7-1-5(4-15(7)14-3-6)9(11,12)8(13)16/h5-6,12H,1-4,7-11H2;1-4H,(H2,13,16)
InChIKeyQXFMXLXSXSYKJO-UHFFFAOYSA-N
XLogP4.05
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-1-benzofuran-2-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 144811716
2,2-difluoro-3-naphthalen-2-ylpropanamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 144811446
2,2-difluoro-2-(5-fluoro-1-benzothiophen-2-yl)acetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;ethane
CID 144811268
(2E)-2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyiminoacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azetidine
CID 144811301
2,2-difluoro-2-[5-(4-fluorophenyl)thiophen-2-yl]acetamide;1-[3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 144811367
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;formaldehyde;4-phenoxybut-1-en-2-amine
CID 143786070
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2,2-difluoro-2-[2-(4-fluorophenoxy)-4-pyridinyl]acetamide
CID 144811839
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine;ethane;1-(methylamino)decan-1-ol
CID 143615624
3-(4-chlorophenyl)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 155273075
2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 10337537
2-[4-(5-chlorothiophen-2-yl)phenyl]-2,2-difluoroacetamide;1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]pyrrolidine
CID 144811208

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The IUPAC name of 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (CID 144811482) is 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.
What is the SMILES notation for 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The canonical SMILES for 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is NC(=O)C(F)(F)c1cc2cc(Cl)cnn2c1.c1cc2c(cc1CCCN1CCCC1)OCCO2.
What is the InChIKey of 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The InChIKey is QXFMXLXSXSYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C9H6ClF2N3O/c1-2-8-16(7-1)9-3-4-13-5-6-14-15(12-13)18-11-10-17-14;10-6-2-7-1-5(4-15(7)14-3-6)9(11,12)8(13)16/h5-6,12H,1-4,7-11H2;1-4H,(H2,13,16).
What are the key properties of 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine has a molecular weight of 492.95 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrrolo[1,2-b]pyridazin-6-yl)-2,2-difluoroacetamide;1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 144811482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).