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

C15H9Cl2N3O4S — CID 4126350

IUPAC2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C15H9Cl2N3O4S/c16-8-1-4-12(10(17)5-8)24-7-14(21)19-15-18-11-3-2-9(20(22)23)6-13(11)25-15/h1-6H,7H2,(H,18,19,21)
InChIKeyNXYVBOYUJZDLEQ-UHFFFAOYSA-N
MW398.23 g/mol
LogP4.53
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4126350) has the molecular formula C15H9Cl2N3O4S and a molecular weight of 398.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
PubChem CID4126350
Molecular FormulaC15H9Cl2N3O4S
Molecular Weight398.23 g/mol
Exact Mass396.97
IUPAC Name2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C15H9Cl2N3O4S/c16-8-1-4-12(10(17)5-8)24-7-14(21)19-15-18-11-3-2-9(20(22)23)6-13(11)25-15/h1-6H,7H2,(H,18,19,21)
InChIKeyNXYVBOYUJZDLEQ-UHFFFAOYSA-N
XLogP4.53
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 1313047
2-(2,4-dichlorophenoxy)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 3581706
N-(6-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-yloxyacetamide
CID 121086709
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 2162590
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CID 4126350) is 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is NXYVBOYUJZDLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O4S/c16-8-1-4-12(10(17)5-8)24-7-14(21)19-15-18-11-3-2-9(20(22)23)6-13(11)25-15/h1-6H,7H2,(H,18,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 398.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4126350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).