4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide

C21H14N4O4 — CID 71907763

IUPAC4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H14N4O4/c26-19(13-4-2-1-3-5-13)14-6-8-15(9-7-14)21(27)22-20-17-12-16(25(28)29)10-11-18(17)23-24-20/h1-12H,(H2,22,23,24,27)
InChIKeyJWZHASKQVHOISS-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.95
Rot. Bonds5

About 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide

4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide (PubChem CID 71907763) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
PubChem CID71907763
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC Name4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H14N4O4/c26-19(13-4-2-1-3-5-13)14-6-8-15(9-7-14)21(27)22-20-17-12-16(25(28)29)10-11-18(17)23-24-20/h1-12H,(H2,22,23,24,27)
InChIKeyJWZHASKQVHOISS-UHFFFAOYSA-N
XLogP3.95
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75392689
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
CID 3937825
N-benzyl-5-nitro-1H-indazol-3-amine
CID 22567151
3-[[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]amino]-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 99792834
3-[(3-nitrobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584500
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide
CID 129094014
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide (CID 71907763) is 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide is O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide?
The InChIKey is JWZHASKQVHOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4/c26-19(13-4-2-1-3-5-13)14-6-8-15(9-7-14)21(27)22-20-17-12-16(25(28)29)10-11-18(17)23-24-20/h1-12H,(H2,22,23,24,27).
What are the key properties of 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide?
4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide has a molecular weight of 386.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 71907763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).