N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide

C21H10Cl4N2O2S — CID 4625786

IUPACN-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C21H10Cl4N2O2S/c22-11-5-3-6-12(23)17(11)19(28)27(20(29)18-13(24)7-4-8-14(18)25)21-26-15-9-1-2-10-16(15)30-21/h1-10H
InChIKeyZANFWVMFENSEPZ-UHFFFAOYSA-N
MW496.20 g/mol
LogP7.40
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide

N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide (PubChem CID 4625786) has the molecular formula C21H10Cl4N2O2S and a molecular weight of 496.20 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
PubChem CID4625786
Molecular FormulaC21H10Cl4N2O2S
Molecular Weight496.20 g/mol
Exact Mass493.92
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C21H10Cl4N2O2S/c22-11-5-3-6-12(23)17(11)19(28)27(20(29)18-13(24)7-4-8-14(18)25)21-26-15-9-1-2-10-16(15)30-21/h1-10H
InChIKeyZANFWVMFENSEPZ-UHFFFAOYSA-N
XLogP7.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.20
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 16808409
N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 7948646
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
CID 2384867
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44926235
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623371
N-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 732578

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide (CID 4625786) is N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide is O=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide?
The InChIKey is ZANFWVMFENSEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl4N2O2S/c22-11-5-3-6-12(23)17(11)19(28)27(20(29)18-13(24)7-4-8-14(18)25)21-26-15-9-1-2-10-16(15)30-21/h1-10H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide has a molecular weight of 496.20 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide is sourced from PubChem (CID 4625786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).