N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide

C15H8Cl4N2O2S — CID 42387652

IUPACN-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C15H8Cl4N2O2S/c16-7-1-2-11(9(18)3-7)23-6-13(22)20-15-21-14-10(19)4-8(17)5-12(14)24-15/h1-5H,6H2,(H,20,21,22)
InChIKeyNBCMDZXUPNDOJN-UHFFFAOYSA-N
MW422.12 g/mol
LogP5.93
Rot. Bonds4

About N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 42387652) has the molecular formula C15H8Cl4N2O2S and a molecular weight of 422.12 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID42387652
Molecular FormulaC15H8Cl4N2O2S
Molecular Weight422.12 g/mol
Exact Mass419.91
IUPAC NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C15H8Cl4N2O2S/c16-7-1-2-11(9(18)3-7)23-6-13(22)20-15-21-14-10(19)4-8(17)5-12(14)24-15/h1-5H,6H2,(H,20,21,22)
InChIKeyNBCMDZXUPNDOJN-UHFFFAOYSA-N
XLogP5.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.12
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
2-(2,4-dichlorophenoxy)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 3581706
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
2-(2,4-dichlorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 4861044
2-(2,4-dichlorophenoxy)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 40744884

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 42387652) is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(Cl)cc(Cl)cc2s1.
What is the InChIKey of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is NBCMDZXUPNDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl4N2O2S/c16-7-1-2-11(9(18)3-7)23-6-13(22)20-15-21-14-10(19)4-8(17)5-12(14)24-15/h1-5H,6H2,(H,20,21,22).
What are the key properties of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 422.12 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 42387652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).