N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C24H17ClFN3O3S — CID 26066103

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1)Nc1ccccc1F
InChIInChI=1S/C24H17ClFN3O3S/c25-17-9-3-1-7-15(17)20-14-33-24(28-20)29-23(31)16-8-2-6-12-21(16)32-13-22(30)27-19-11-5-4-10-18(19)26/h1-12,14H,13H2,(H,27,30)(H,28,29,31)
InChIKeyBWOLSBSJKRBEHZ-UHFFFAOYSA-N
MW481.94 g/mol
LogP5.87
Rot. Bonds7

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 26066103) has the molecular formula C24H17ClFN3O3S and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID26066103
Molecular FormulaC24H17ClFN3O3S
Molecular Weight481.94 g/mol
Exact Mass481.07
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1)Nc1ccccc1F
InChIInChI=1S/C24H17ClFN3O3S/c25-17-9-3-1-7-15(17)20-14-33-24(28-20)29-23(31)16-8-2-6-12-21(16)32-13-22(30)27-19-11-5-4-10-18(19)26/h1-12,14H,13H2,(H,27,30)(H,28,29,31)
InChIKeyBWOLSBSJKRBEHZ-UHFFFAOYSA-N
XLogP5.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.94
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26207842
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
N-(6-chloroquinolin-8-yl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 43052391
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 26066103) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1)Nc1ccccc1F.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is BWOLSBSJKRBEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3S/c25-17-9-3-1-7-15(17)20-14-33-24(28-20)29-23(31)16-8-2-6-12-21(16)32-13-22(30)27-19-11-5-4-10-18(19)26/h1-12,14H,13H2,(H,27,30)(H,28,29,31).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 481.94 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 26066103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).