N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide

C21H14Cl2N2OS — CID 41109819

IUPACN-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-11-9-15(10-12-16)20(26)25(13-14-5-2-1-3-6-14)21-24-19-17(23)7-4-8-18(19)27-21/h1-12H,13H2
InChIKeyNJOXTEPVDYGLPX-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.45
Rot. Bonds4

About N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109819) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109819
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC NameN-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-11-9-15(10-12-16)20(26)25(13-14-5-2-1-3-6-14)21-24-19-17(23)7-4-8-18(19)27-21/h1-12H,13H2
InChIKeyNJOXTEPVDYGLPX-UHFFFAOYSA-N
XLogP6.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 41109876
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 41109878
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 41115931
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989757
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
4-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43963928
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)sulfonylbutanamide
CID 41320160
2,4-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983545
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 8670812
N-(4-chloro-1,3-benzothiazol-2-yl)-3,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43986002
4-[benzyl(ethyl)sulfamoyl]-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959887

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide (CID 41109819) is N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NJOXTEPVDYGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c22-16-11-9-15(10-12-16)20(26)25(13-14-5-2-1-3-6-14)21-24-19-17(23)7-4-8-18(19)27-21/h1-12H,13H2.
What are the key properties of N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 413.33 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).