N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide

C13H15Cl2NO3S — CID 102566348

IUPACN-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-2-13(17)16(10-5-6-20(18,19)8-10)12-4-3-9(14)7-11(12)15/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBRHMTTIYQCNLHC-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.92
Rot. Bonds3

About N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide

N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 102566348) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID102566348
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC NameN-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-2-13(17)16(10-5-6-20(18,19)8-10)12-4-3-9(14)7-11(12)15/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBRHMTTIYQCNLHC-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565863
N-(3-chloro-4-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102565875
N-(2,5-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 102566324
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
4-chloro-N-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566612
N-(1,1-dioxothiolan-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 102566375
2-(2,4-dichlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7503891
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
2-[(4-chlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8540396
2-(4-chloro-N-(1,1-dioxothiolan-3-yl)anilino)acetic acid
CID 60834017
N-(2,4-dichlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methylpropanediamide
CID 108949278
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 102566348) is N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide is CCC(=O)N(c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is BRHMTTIYQCNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-2-13(17)16(10-5-6-20(18,19)8-10)12-4-3-9(14)7-11(12)15/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide?
N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 336.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 102566348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).