N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide

C15H10Cl2N4O3 — CID 1205869

IUPACN-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N4O3/c16-11-2-1-3-12(15(11)17)19-14(22)8-20-13-5-4-10(21(23)24)6-9(13)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyHNDZBPGIADFSOI-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.89
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide

N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 1205869) has the molecular formula C15H10Cl2N4O3 and a molecular weight of 365.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
PubChem CID1205869
Molecular FormulaC15H10Cl2N4O3
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC NameN-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N4O3/c16-11-2-1-3-12(15(11)17)19-14(22)8-20-13-5-4-10(21(23)24)6-9(13)7-18-20/h1-7H,8H2,(H,19,22)
InChIKeyHNDZBPGIADFSOI-UHFFFAOYSA-N
XLogP3.89
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46935059
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151510
(2R)-N-(2,3-dichlorophenyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7366681
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2585037
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
CID 3282257
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151469

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide (CID 1205869) is N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is HNDZBPGIADFSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3/c16-11-2-1-3-12(15(11)17)19-14(22)8-20-13-5-4-10(21(23)24)6-9(13)7-18-20/h1-7H,8H2,(H,19,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 365.18 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 1205869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).