2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C16H18Cl2N2O3 — CID 167749495

IUPAC2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@@H]2COC(=O)[C@@H]2C1
InChIInChI=1S/C16H18Cl2N2O3/c1-19(5-10-2-3-13(17)14(18)4-10)15(21)8-20-6-11-9-23-16(22)12(11)7-20/h2-4,11-12H,5-9H2,1H3/t11-,12-/m1/s1
InChIKeyGTLMMFCNEDIUNP-VXGBXAGGSA-N
MW357.24 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 167749495) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID167749495
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@@H]2COC(=O)[C@@H]2C1
InChIInChI=1S/C16H18Cl2N2O3/c1-19(5-10-2-3-13(17)14(18)4-10)15(21)8-20-6-11-9-23-16(22)12(11)7-20/h2-4,11-12H,5-9H2,1H3/t11-,12-/m1/s1
InChIKeyGTLMMFCNEDIUNP-VXGBXAGGSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 167749495) is 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C[C@@H]2COC(=O)[C@@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is GTLMMFCNEDIUNP-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-19(5-10-2-3-13(17)14(18)4-10)15(21)8-20-6-11-9-23-16(22)12(11)7-20/h2-4,11-12H,5-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 357.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 167749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).