2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide

C16H13Cl2FN2O3S — CID 7483310

IUPAC2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13Cl2FN2O3S/c17-11-6-5-10(9-14(11)21-7-2-8-25(21,23)24)20-16(22)15-12(18)3-1-4-13(15)19/h1,3-6,9H,2,7-8H2,(H,20,22)
InChIKeyXORBYZUGXJQHCS-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide

2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide (PubChem CID 7483310) has the molecular formula C16H13Cl2FN2O3S and a molecular weight of 403.26 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
PubChem CID7483310
Molecular FormulaC16H13Cl2FN2O3S
Molecular Weight403.26 g/mol
Exact Mass402.00
IUPAC Name2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13Cl2FN2O3S/c17-11-6-5-10(9-14(11)21-7-2-8-25(21,23)24)20-16(22)15-12(18)3-1-4-13(15)19/h1,3-6,9H,2,7-8H2,(H,20,22)
InChIKeyXORBYZUGXJQHCS-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-6-fluorobenzamide
CID 112505756
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylbenzamide
CID 7638884
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
CID 7482972
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-nitrobenzamide
CID 7495701
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 7483111
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7483299
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-2-fluorobenzamide
CID 112505896
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide (CID 7483310) is 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide is O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide?
The InChIKey is XORBYZUGXJQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3S/c17-11-6-5-10(9-14(11)21-7-2-8-25(21,23)24)20-16(22)15-12(18)3-1-4-13(15)19/h1,3-6,9H,2,7-8H2,(H,20,22).
What are the key properties of 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide?
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide has a molecular weight of 403.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide is sourced from PubChem (CID 7483310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).