N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C16H15Cl2N3O3S — CID 41492455

IUPACN-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNc1c(Cl)cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3S/c17-13-8-11(9-14(18)15(13)19)20-16(22)10-3-1-4-12(7-10)21-5-2-6-25(21,23)24/h1,3-4,7-9H,2,5-6,19H2,(H,20,22)
InChIKeyGGENHXKGRKMSGA-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.37
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 41492455) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID41492455
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNc1c(Cl)cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H15Cl2N3O3S/c17-13-8-11(9-14(18)15(13)19)20-16(22)10-3-1-4-12(7-10)21-5-2-6-25(21,23)24/h1,3-4,7-9H,2,5-6,19H2,(H,20,22)
InChIKeyGGENHXKGRKMSGA-UHFFFAOYSA-N
XLogP3.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 56530330
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 41492455) is N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Nc1c(Cl)cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GGENHXKGRKMSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c17-13-8-11(9-14(18)15(13)19)20-16(22)10-3-1-4-12(7-10)21-5-2-6-25(21,23)24/h1,3-4,7-9H,2,5-6,19H2,(H,20,22).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 400.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 41492455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).