2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C17H10Cl2F2N2O3S — CID 41405171

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H10Cl2F2N2O3S/c18-10-5-8-9(6-11(10)19)16(26)23(15(8)25)7-14(24)22-12-3-1-2-4-13(12)27-17(20)21/h1-6,17H,7H2,(H,22,24)
InChIKeyBGKWDNAIDNXLOW-UHFFFAOYSA-N
MW431.25 g/mol
LogP4.54
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 41405171) has the molecular formula C17H10Cl2F2N2O3S and a molecular weight of 431.25 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID41405171
Molecular FormulaC17H10Cl2F2N2O3S
Molecular Weight431.25 g/mol
Exact Mass429.98
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H10Cl2F2N2O3S/c18-10-5-8-9(6-11(10)19)16(26)23(15(8)25)7-14(24)22-12-3-1-2-4-13(12)27-17(20)21/h1-6,17H,7H2,(H,22,24)
InChIKeyBGKWDNAIDNXLOW-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708377
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24592823
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 41405171) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is BGKWDNAIDNXLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2O3S/c18-10-5-8-9(6-11(10)19)16(26)23(15(8)25)7-14(24)22-12-3-1-2-4-13(12)27-17(20)21/h1-6,17H,7H2,(H,22,24).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 431.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 41405171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).