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

C21H14Cl2N2OS — CID 2384867

IUPACN-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)c1Cl
InChIInChI=1S/C21H14Cl2N2OS/c1-13-5-4-7-17(19(13)23)25(20(26)14-9-11-15(22)12-10-14)21-24-16-6-2-3-8-18(16)27-21/h2-12H,1H3
InChIKeyBTBYAYAUTNOYJP-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.89
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide (PubChem CID 2384867) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
PubChem CID2384867
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)c1Cl
InChIInChI=1S/C21H14Cl2N2OS/c1-13-5-4-7-17(19(13)23)25(20(26)14-9-11-15(22)12-10-14)21-24-16-6-2-3-8-18(16)27-21/h2-12H,1H3
InChIKeyBTBYAYAUTNOYJP-UHFFFAOYSA-N
XLogP6.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
CID 52533642
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 55883286
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 8891857
N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
CID 4625786
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
CID 55333571
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604825
N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide (CID 2384867) is N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide is Cc1cccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)c1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide?
The InChIKey is BTBYAYAUTNOYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c1-13-5-4-7-17(19(13)23)25(20(26)14-9-11-15(22)12-10-14)21-24-16-6-2-3-8-18(16)27-21/h2-12H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide has a molecular weight of 413.33 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide is sourced from PubChem (CID 2384867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).