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

C22H14Cl2N2OS — CID 108770274

IUPAC2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-18-10-3-1-8-16(18)21(27)25-15-7-5-6-14(12-15)20-13-28-22(26-20)17-9-2-4-11-19(17)24/h1-13H,(H,25,27)
InChIKeyBQJGFCFRZQYWIS-UHFFFAOYSA-N
MW425.34 g/mol
LogP7.04
Rot. Bonds4

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

2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 108770274) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID108770274
Molecular FormulaC22H14Cl2N2OS
Molecular Weight425.34 g/mol
Exact Mass424.02
IUPAC Name2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-18-10-3-1-8-16(18)21(27)25-15-7-5-6-14(12-15)20-13-28-22(26-20)17-9-2-4-11-19(17)24/h1-13H,(H,25,27)
InChIKeyBQJGFCFRZQYWIS-UHFFFAOYSA-N
XLogP7.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
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
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide (CID 108770274) is 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is BQJGFCFRZQYWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-18-10-3-1-8-16(18)21(27)25-15-7-5-6-14(12-15)20-13-28-22(26-20)17-9-2-4-11-19(17)24/h1-13H,(H,25,27).
What are the key properties of 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide?
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 425.34 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 108770274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).