N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide

C23H19ClFN3O3S — CID 144621473

IUPACN-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2F)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H19ClFN3O3S/c24-19-10-7-16(13-21(19)27-22(29)15-5-2-1-3-6-15)26-23(30)18-9-8-17(14-20(18)25)28-11-4-12-32(28)31/h1-3,5-10,13-14H,4,11-12H2,(H,26,30)(H,27,29)
InChIKeyFJFFHKDLLOSJBP-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.86
Rot. Bonds5

About N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide

N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 144621473) has the molecular formula C23H19ClFN3O3S and a molecular weight of 471.94 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID144621473
Molecular FormulaC23H19ClFN3O3S
Molecular Weight471.94 g/mol
Exact Mass471.08
IUPAC NameN-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2F)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H19ClFN3O3S/c24-19-10-7-16(13-21(19)27-22(29)15-5-2-1-3-6-15)26-23(30)18-9-8-17(14-20(18)25)28-11-4-12-32(28)31/h1-3,5-10,13-14H,4,11-12H2,(H,26,30)(H,27,29)
InChIKeyFJFFHKDLLOSJBP-UHFFFAOYSA-N
XLogP4.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031
N-[4-chloro-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]phenyl]-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621847
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130519
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044
2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621410
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide (CID 144621473) is N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2F)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is FJFFHKDLLOSJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S/c24-19-10-7-16(13-21(19)27-22(29)15-5-2-1-3-6-15)26-23(30)18-9-8-17(14-20(18)25)28-11-4-12-32(28)31/h1-3,5-10,13-14H,4,11-12H2,(H,26,30)(H,27,29).
What are the key properties of N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide?
N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 471.94 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 144621473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).