N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C16H14ClFN2O3S — CID 51246208

IUPACN-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H14ClFN2O3S/c17-14-10-12(4-7-15(14)18)19-16(21)11-2-5-13(6-3-11)20-8-1-9-24(20,22)23/h2-7,10H,1,8-9H2,(H,19,21)
InChIKeyAUYMYTCSYAHKEO-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.27
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 51246208) has the molecular formula C16H14ClFN2O3S and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID51246208
Molecular FormulaC16H14ClFN2O3S
Molecular Weight368.82 g/mol
Exact Mass368.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H14ClFN2O3S/c17-14-10-12(4-7-15(14)18)19-16(21)11-2-5-13(6-3-11)20-8-1-9-24(20,22)23/h2-7,10H,1,8-9H2,(H,19,21)
InChIKeyAUYMYTCSYAHKEO-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 134059983
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 118462952
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 51246208) is N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is AUYMYTCSYAHKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3S/c17-14-10-12(4-7-15(14)18)19-16(21)11-2-5-13(6-3-11)20-8-1-9-24(20,22)23/h2-7,10H,1,8-9H2,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 51246208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).