N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide

C16H13ClF2N2O3S — CID 112505881

IUPACN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13ClF2N2O3S/c17-12-4-3-11(21-6-1-7-25(21,23)24)9-15(12)20-16(22)10-2-5-13(18)14(19)8-10/h2-5,8-9H,1,6-7H2,(H,20,22)
InChIKeyOYCXSUWFCRKBIK-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.41
Rot. Bonds3

About N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 112505881) has the molecular formula C16H13ClF2N2O3S and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
PubChem CID112505881
Molecular FormulaC16H13ClF2N2O3S
Molecular Weight386.81 g/mol
Exact Mass386.03
IUPAC NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13ClF2N2O3S/c17-12-4-3-11(21-6-1-7-25(21,23)24)9-15(12)20-16(22)10-2-5-13(18)14(19)8-10/h2-5,8-9H,1,6-7H2,(H,20,22)
InChIKeyOYCXSUWFCRKBIK-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623156
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516982
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide (CID 112505881) is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is OYCXSUWFCRKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3S/c17-12-4-3-11(21-6-1-7-25(21,23)24)9-15(12)20-16(22)10-2-5-13(18)14(19)8-10/h2-5,8-9H,1,6-7H2,(H,20,22).
What are the key properties of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide?
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide has a molecular weight of 386.81 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 112505881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).