N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H10ClN3O4S — CID 7693080

IUPACN-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O4S/c16-9-5-6-10(12(7-9)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20)
InChIKeyNDGUHSWXGPHZFI-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.26
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 7693080) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID7693080
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O4S/c16-9-5-6-10(12(7-9)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20)
InChIKeyNDGUHSWXGPHZFI-UHFFFAOYSA-N
XLogP3.26
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.26
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

N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84553097
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10712561
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
N-(4-chloro-2-nitrophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591983
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
N-(4-chloro-2-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 3390074
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 4262340
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 35695274

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 7693080) is N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is NDGUHSWXGPHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c16-9-5-6-10(12(7-9)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 363.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 7693080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).