3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide

C16H21Cl2NO3S — CID 110617365

IUPAC3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H21Cl2NO3S/c17-14-5-3-12(10-15(14)18)4-6-16(20)19-8-1-2-13-7-9-23(21,22)11-13/h3,5,10,13H,1-2,4,6-9,11H2,(H,19,20)
InChIKeyZXYIVBSVXDTMOF-UHFFFAOYSA-N
MW378.32 g/mol
LogP3.26
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide

3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide (PubChem CID 110617365) has the molecular formula C16H21Cl2NO3S and a molecular weight of 378.32 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
PubChem CID110617365
Molecular FormulaC16H21Cl2NO3S
Molecular Weight378.32 g/mol
Exact Mass377.06
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCCCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H21Cl2NO3S/c17-14-5-3-12(10-15(14)18)4-6-16(20)19-8-1-2-13-7-9-23(21,22)11-13/h3,5,10,13H,1-2,4,6-9,11H2,(H,19,20)
InChIKeyZXYIVBSVXDTMOF-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]butanamide
CID 110417130
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenylpentanamide
CID 110417136
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-thiophen-2-ylpentanamide
CID 110417133
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-phenoxyacetamide
CID 110418906
N-[3-(1,1-dioxothiolan-3-yl)propyl]pyridine-4-carboxamide
CID 110418925
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110617358
N-[2-(4-chlorophenyl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9268417
N-(2-cyclohexylsulfanylethyl)-3-(3,4-dichlorophenyl)propanamide
CID 100594412
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110610688

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide (CID 110617365) is 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide is O=C(CCc1ccc(Cl)c(Cl)c1)NCCCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The InChIKey is ZXYIVBSVXDTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3S/c17-14-5-3-12(10-15(14)18)4-6-16(20)19-8-1-2-13-7-9-23(21,22)11-13/h3,5,10,13H,1-2,4,6-9,11H2,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide has a molecular weight of 378.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide is sourced from PubChem (CID 110617365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).