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

C17H16ClFN2O3S — CID 7482972

IUPAC2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O3S/c1-11-10-12(21-8-3-9-25(21,23)24)6-7-15(11)20-17(22)16-13(18)4-2-5-14(16)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,22)
InChIKeyPTNYSUHAVJDZPS-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.58
Rot. Bonds3

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

2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide (PubChem CID 7482972) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
PubChem CID7482972
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
SMILESCc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O3S/c1-11-10-12(21-8-3-9-25(21,23)24)6-7-15(11)20-17(22)16-13(18)4-2-5-14(16)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,22)
InChIKeyPTNYSUHAVJDZPS-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.58
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
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
2,3-dichloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
CID 55815013
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
CID 7482980
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide (CID 7482972) is 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide is Cc1cc(N2CCCS2(=O)=O)ccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide?
The InChIKey is PTNYSUHAVJDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-11-10-12(21-8-3-9-25(21,23)24)6-7-15(11)20-17(22)16-13(18)4-2-5-14(16)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide?
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide has a molecular weight of 382.84 g/mol, XLogP of 3.58, 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-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide is sourced from PubChem (CID 7482972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).