2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C19H18Cl2F2N4O2 — CID 165089960

IUPAC2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(F)(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1
InChIInChI=1S/C19H18Cl2F2N4O2/c1-17(22,23)14-5-25-15(6-24-14)26-18-8-19(9-18,10-18)27-16(28)7-29-11-2-3-12(20)13(21)4-11/h2-6H,7-10H2,1H3,(H,25,26)(H,27,28)
InChIKeyXFRAZGXMGWEUGN-UHFFFAOYSA-N
MW443.28 g/mol
LogP4.18
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165089960) has the molecular formula C19H18Cl2F2N4O2 and a molecular weight of 443.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID165089960
Molecular FormulaC19H18Cl2F2N4O2
Molecular Weight443.28 g/mol
Exact Mass442.08
IUPAC Name2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(F)(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1
InChIInChI=1S/C19H18Cl2F2N4O2/c1-17(22,23)14-5-25-15(6-24-14)26-18-8-19(9-18,10-18)27-16(28)7-29-11-2-3-12(20)13(21)4-11/h2-6H,7-10H2,1H3,(H,25,26)(H,27,28)
InChIKeyXFRAZGXMGWEUGN-UHFFFAOYSA-N
XLogP4.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160790461
4-cycloheptyl-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]piperidine-3-carboxamide
CID 138626580
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 142585993
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165016879
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3,4-dichlorophenyl)-2-oxoethyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610373
2-(3,4-dichlorophenoxy)-N-[3-[2-(2-ethyl-1,3-oxazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159869670
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-propan-2-ylpiperidine-3-carboxamide
CID 138626798
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165089960) is 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(F)(F)c1cnc(NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)cn1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is XFRAZGXMGWEUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N4O2/c1-17(22,23)14-5-25-15(6-24-14)26-18-8-19(9-18,10-18)27-16(28)7-29-11-2-3-12(20)13(21)4-11/h2-6H,7-10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 443.28 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165089960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).