N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide

C12H14FIN2O3S — CID 60616296

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
SMILESO=C(NCCN1CCCS1(=O)=O)c1cc(F)ccc1I
InChIInChI=1S/C12H14FIN2O3S/c13-9-2-3-11(14)10(8-9)12(17)15-4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7H2,(H,15,17)
InChIKeySRVDPJUMCBSOSK-UHFFFAOYSA-N
MW412.22 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide (PubChem CID 60616296) has the molecular formula C12H14FIN2O3S and a molecular weight of 412.22 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
PubChem CID60616296
Molecular FormulaC12H14FIN2O3S
Molecular Weight412.22 g/mol
Exact Mass411.98
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
SMILESO=C(NCCN1CCCS1(=O)=O)c1cc(F)ccc1I
InChIInChI=1S/C12H14FIN2O3S/c13-9-2-3-11(14)10(8-9)12(17)15-4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7H2,(H,15,17)
InChIKeySRVDPJUMCBSOSK-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
CID 49090622
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 49090761
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
CID 60616291
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 49067552

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide (CID 60616296) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide is O=C(NCCN1CCCS1(=O)=O)c1cc(F)ccc1I.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide?
The InChIKey is SRVDPJUMCBSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O3S/c13-9-2-3-11(14)10(8-9)12(17)15-4-6-16-5-1-7-20(16,18)19/h2-3,8H,1,4-7H2,(H,15,17).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide has a molecular weight of 412.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide is sourced from PubChem (CID 60616296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).