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

C15H10ClN3O4S — CID 1313047

IUPAC2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C15H10ClN3O4S/c16-9-1-4-11(5-2-9)23-8-14(20)18-15-17-12-6-3-10(19(21)22)7-13(12)24-15/h1-7H,8H2,(H,17,18,20)
InChIKeyYLGGSQLANACRKH-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.88
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1313047) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
PubChem CID1313047
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C15H10ClN3O4S/c16-9-1-4-11(5-2-9)23-8-14(20)18-15-17-12-6-3-10(19(21)22)7-13(12)24-15/h1-7H,8H2,(H,17,18,20)
InChIKeyYLGGSQLANACRKH-UHFFFAOYSA-N
XLogP3.88
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.88
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-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
N-(6-nitro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-yloxyacetamide
CID 121086709
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059
N-[6-[[2-(4-nitrophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide
CID 22776248
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 4168126
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 2162590
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 5220978
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 3551279
N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108743869
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732911
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CID 1313047) is 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YLGGSQLANACRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c16-9-1-4-11(5-2-9)23-8-14(20)18-15-17-12-6-3-10(19(21)22)7-13(12)24-15/h1-7H,8H2,(H,17,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 363.78 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1313047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).