1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide

C22H15FN4O4 — CID 76852283

IUPAC1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide
SMILESCC(=O)n1nc(-c2ccc(F)cc2)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C22H15FN4O4/c1-13(28)26-20-10-7-15(22(29)24-17-3-2-4-18(12-17)27(30)31)11-19(20)21(25-26)14-5-8-16(23)9-6-14/h2-12H,1H3,(H,24,29)
InChIKeyROBJIZHJZGSIPG-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.66
Rot. Bonds4

About 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide

1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide (PubChem CID 76852283) has the molecular formula C22H15FN4O4 and a molecular weight of 418.38 g/mol. Its IUPAC name is 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide
PubChem CID76852283
Molecular FormulaC22H15FN4O4
Molecular Weight418.38 g/mol
Exact Mass418.11
IUPAC Name1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide
SMILESCC(=O)n1nc(-c2ccc(F)cc2)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21
InChIInChI=1S/C22H15FN4O4/c1-13(28)26-20-10-7-15(22(29)24-17-3-2-4-18(12-17)27(30)31)11-19(20)21(25-26)14-5-8-16(23)9-6-14/h2-12H,1H3,(H,24,29)
InChIKeyROBJIZHJZGSIPG-UHFFFAOYSA-N
XLogP4.66
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.66
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'}

Analyze 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9410846
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide
CID 1237508
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide?
The IUPAC name of 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide (CID 76852283) is 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide.
What is the SMILES notation for 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide?
The canonical SMILES for 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide is CC(=O)n1nc(-c2ccc(F)cc2)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21.
What is the InChIKey of 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide?
The InChIKey is ROBJIZHJZGSIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O4/c1-13(28)26-20-10-7-15(22(29)24-17-3-2-4-18(12-17)27(30)31)11-19(20)21(25-26)14-5-8-16(23)9-6-14/h2-12H,1H3,(H,24,29).
What are the key properties of 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide?
1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-5-carboxamide is sourced from PubChem (CID 76852283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).