2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide

C22H18ClFN2O3S — CID 55475083

IUPAC2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-17-7-3-2-6-14(17)15-12-16(15)20(27)25-9-10-26-21(28)19(30-22(26)29)11-13-5-1-4-8-18(13)24/h1-8,11,15-16H,9-10,12H2,(H,25,27)/b19-11-
InChIKeyGXCIAJYIMCPUDO-ODLFYWEKSA-N
MW444.92 g/mol
LogP4.44
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 55475083) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID55475083
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC Name2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H18ClFN2O3S/c23-17-7-3-2-6-14(17)15-12-16(15)20(27)25-9-10-26-21(28)19(30-22(26)29)11-13-5-1-4-8-18(13)24/h1-8,11,15-16H,9-10,12H2,(H,25,27)/b19-11-
InChIKeyGXCIAJYIMCPUDO-ODLFYWEKSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009831
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261974
N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55473902
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-4-oxocyclohexane-1-carboxamide
CID 71906175
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 18777107
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide
CID 74489233
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-iodobenzamide
CID 29176375
2-[1-(2-chlorophenyl)ethylamino]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 55354195
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555118
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
CID 8912881
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylbenzamide
CID 8912869
1-butyl-3-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]urea
CID 3939257

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide (CID 55475083) is 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide is O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is GXCIAJYIMCPUDO-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-17-7-3-2-6-14(17)15-12-16(15)20(27)25-9-10-26-21(28)19(30-22(26)29)11-13-5-1-4-8-18(13)24/h1-8,11,15-16H,9-10,12H2,(H,25,27)/b19-11-.
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55475083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).