2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide

C22H13Cl3N2OS — CID 108748313

IUPAC2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl3N2OS/c23-14-8-9-16(19(25)11-14)21(28)26-15-5-3-4-13(10-15)20-12-29-22(27-20)17-6-1-2-7-18(17)24/h1-12H,(H,26,28)
InChIKeyRNYIBVGGRHFBGG-UHFFFAOYSA-N
MW459.79 g/mol
LogP7.69
Rot. Bonds4

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

2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 108748313) has the molecular formula C22H13Cl3N2OS and a molecular weight of 459.79 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID108748313
Molecular FormulaC22H13Cl3N2OS
Molecular Weight459.79 g/mol
Exact Mass457.98
IUPAC Name2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H13Cl3N2OS/c23-14-8-9-16(19(25)11-14)21(28)26-15-5-3-4-13(10-15)20-12-29-22(27-20)17-6-1-2-7-18(17)24/h1-12H,(H,26,28)
InChIKeyRNYIBVGGRHFBGG-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.79
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methyl-3,5-dinitrobenzamide
CID 108748287
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108809085
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide (CID 108748313) is 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is RNYIBVGGRHFBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2OS/c23-14-8-9-16(19(25)11-14)21(28)26-15-5-3-4-13(10-15)20-12-29-22(27-20)17-6-1-2-7-18(17)24/h1-12H,(H,26,28).
What are the key properties of 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 459.79 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 108748313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).