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2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C14H18Cl2N2O3S — CID 9196797

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRQHSNJDZTBNUKK-GFCCVEGCSA-N
MW365.28 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 9196797) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID9196797
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRQHSNJDZTBNUKK-GFCCVEGCSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 9196797) is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is RQHSNJDZTBNUKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-18(7-10-2-3-11(15)6-13(10)16)8-14(19)17-12-4-5-22(20,21)9-12/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 365.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 9196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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