3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide

C19H17Cl2N3O3 — CID 142585993

IUPAC3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C(=O)Nc3ccccn3)(C1)C2
InChIInChI=1S/C19H17Cl2N3O3/c20-13-5-4-12(7-14(13)21)27-8-16(25)24-19-9-18(10-19,11-19)17(26)23-15-3-1-2-6-22-15/h1-7H,8-11H2,(H,24,25)(H,22,23,26)
InChIKeyPCDUZBPSVOAWOW-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.44
Rot. Bonds6

About 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 142585993) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID142585993
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C(=O)Nc3ccccn3)(C1)C2
InChIInChI=1S/C19H17Cl2N3O3/c20-13-5-4-12(7-14(13)21)27-8-16(25)24-19-9-18(10-19,11-19)17(26)23-15-3-1-2-6-22-15/h1-7H,8-11H2,(H,24,25)(H,22,23,26)
InChIKeyPCDUZBPSVOAWOW-UHFFFAOYSA-N
XLogP3.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(2-pyrazol-1-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 138736201
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 159517030
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-N-[5-(trifluoromethoxy)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154698458
2-(3,4-dichlorophenoxy)-N-[3-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165089960
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-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947
ethyl 2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 154698454
4-cycloheptyl-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]piperidine-3-carboxamide
CID 138626580
[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 156635677

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide (CID 142585993) is 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide is O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C(=O)Nc3ccccn3)(C1)C2.
What is the InChIKey of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is PCDUZBPSVOAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c20-13-5-4-12(7-14(13)21)27-8-16(25)24-19-9-18(10-19,11-19)17(26)23-15-3-1-2-6-22-15/h1-7H,8-11H2,(H,24,25)(H,22,23,26).
What are the key properties of 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide?
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 142585993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).