2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride

C16H23Cl2N3O3 — CID 120660894

IUPAC2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CN2C[C@H]3CNC[C@H]3C2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-22-14-3-10(2-13(17)16(14)23-9-15(18)21)6-20-7-11-4-19-5-12(11)8-20;/h2-3,11-12,19H,4-9H2,1H3,(H2,18,21);1H/t11-,12+;
InChIKeyRAVHECMSEZXGIX-IWKKHLOMSA-N
MW376.28 g/mol
LogP1.29
Rot. Bonds6

About 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride

2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 120660894) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
PubChem CID120660894
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CN2C[C@H]3CNC[C@H]3C2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-22-14-3-10(2-13(17)16(14)23-9-15(18)21)6-20-7-11-4-19-5-12(11)8-20;/h2-3,11-12,19H,4-9H2,1H3,(H2,18,21);1H/t11-,12+;
InChIKeyRAVHECMSEZXGIX-IWKKHLOMSA-N
XLogP1.29
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 97159418
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
2-[4-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 99955086
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
CID 120962121
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide chloride
CID 21233301
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride (CID 120660894) is 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride is COc1cc(CN2C[C@H]3CNC[C@H]3C2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is RAVHECMSEZXGIX-IWKKHLOMSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-22-14-3-10(2-13(17)16(14)23-9-15(18)21)6-20-7-11-4-19-5-12(11)8-20;/h2-3,11-12,19H,4-9H2,1H3,(H2,18,21);1H/t11-,12+;.
What are the key properties of 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride?
2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 120660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).