4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide

C16H14FN3O5S — CID 134059983

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H14FN3O5S/c17-14-7-4-12(10-15(14)20(22)23)18-16(21)11-2-5-13(6-3-11)19-8-1-9-26(19,24)25/h2-7,10H,1,8-9H2,(H,18,21)
InChIKeyKYOCHQXETBAEET-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.53
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 134059983) has the molecular formula C16H14FN3O5S and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID134059983
Molecular FormulaC16H14FN3O5S
Molecular Weight379.37 g/mol
Exact Mass379.06
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H14FN3O5S/c17-14-7-4-12(10-15(14)20(22)23)18-16(21)11-2-5-13(6-3-11)19-8-1-9-26(19,24)25/h2-7,10H,1,8-9H2,(H,18,21)
InChIKeyKYOCHQXETBAEET-UHFFFAOYSA-N
XLogP2.53
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130033
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide (CID 134059983) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is KYOCHQXETBAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5S/c17-14-7-4-12(10-15(14)20(22)23)18-16(21)11-2-5-13(6-3-11)19-8-1-9-26(19,24)25/h2-7,10H,1,8-9H2,(H,18,21).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 379.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 134059983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).