1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide

C15H16Cl2N2O4S — CID 109138264

IUPAC1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16Cl2N2O4S/c16-11-2-1-3-12(13(11)17)19-15(21)10-6-9(10)14(20)18-8-4-5-24(22,23)7-8/h1-3,8-10H,4-7H2,(H,18,20)(H,19,21)
InChIKeyGZPXALLYCUWJRN-UHFFFAOYSA-N
MW391.28 g/mol
LogP1.87
Rot. Bonds4

About 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide

1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138264) has the molecular formula C15H16Cl2N2O4S and a molecular weight of 391.28 g/mol. Its IUPAC name is 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID109138264
Molecular FormulaC15H16Cl2N2O4S
Molecular Weight391.28 g/mol
Exact Mass390.02
IUPAC Name1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16Cl2N2O4S/c16-11-2-1-3-12(13(11)17)19-15(21)10-6-9(10)14(20)18-8-4-5-24(22,23)7-8/h1-3,8-10H,4-7H2,(H,18,20)(H,19,21)
InChIKeyGZPXALLYCUWJRN-UHFFFAOYSA-N
XLogP1.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138204
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
1-N-(5-chloro-2-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138227
1-N-(2,5-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138199
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
(2S)-2-(2,6-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 95282350

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide (CID 109138264) is 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CC1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is GZPXALLYCUWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S/c16-11-2-1-3-12(13(11)17)19-15(21)10-6-9(10)14(20)18-8-4-5-24(22,23)7-8/h1-3,8-10H,4-7H2,(H,18,20)(H,19,21).
What are the key properties of 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide?
1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 391.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).