2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C24H22Cl2N4O2 — CID 165038308

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H22Cl2N4O2/c1-15-8-18(6-7-19(15)26)32-11-22(31)30-24-12-23(13-24,14-24)29-21-10-27-9-20(28-21)16-2-4-17(25)5-3-16/h2-10H,11-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyDSDRVIMCUCOEKW-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.04
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165038308) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID165038308
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1cc(OCC(=O)NC23CC(Nc4cncc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H22Cl2N4O2/c1-15-8-18(6-7-19(15)26)32-11-22(31)30-24-12-23(13-24,14-24)29-21-10-27-9-20(28-21)16-2-4-17(25)5-3-16/h2-10H,11-14H2,1H3,(H,28,29)(H,30,31)
InChIKeyDSDRVIMCUCOEKW-UHFFFAOYSA-N
XLogP5.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazine-Pyridine Biheteroaryl 48
CID 5330376
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604777
N-[3-(2,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]-2-(4-methoxyphenyl)acetamide
CID 46943728
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide
CID 75411315
2-(4-chloro-3-methylphenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 738259
2-(4-chloro-3,5-dimethylphenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 738265
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methylpyridin-2-yl)acetamide
CID 740907
2-(4-Chloro-3-methylphenoxy)-1-(4-{6-[(4-methylphenyl)amino]pyrimidin-4-YL}piperazin-1-YL)ethan-1-one
CID 17013111
2-(4-chlorophenoxy)-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 24302697
2-(4-Chlorophenoxy)-N-(6-{4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-YL}pyridin-3-YL)acetamide
CID 46053810
2-(4-Chlorophenoxy)-N-(6-{4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-YL}pyridin-3-YL)acetamide
CID 46053813

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165038308) is 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4cncc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is DSDRVIMCUCOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c1-15-8-18(6-7-19(15)26)32-11-22(31)30-24-12-23(13-24,14-24)29-21-10-27-9-20(28-21)16-2-4-17(25)5-3-16/h2-10H,11-14H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 469.37 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(4-chlorophenyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165038308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).