N-(1H-indazol-5-yl)-3-nitrobenzamide

C14H10N4O3 — CID 17163936

IUPACN-(1H-indazol-5-yl)-3-nitrobenzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O3/c19-14(9-2-1-3-12(7-9)18(20)21)16-11-4-5-13-10(6-11)8-15-17-13/h1-8H,(H,15,17)(H,16,19)
InChIKeyAQJJWBZVYKTFJE-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.72
Rot. Bonds3

About N-(1H-indazol-5-yl)-3-nitrobenzamide

N-(1H-indazol-5-yl)-3-nitrobenzamide (PubChem CID 17163936) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-nitrobenzamide
PubChem CID17163936
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC NameN-(1H-indazol-5-yl)-3-nitrobenzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O3/c19-14(9-2-1-3-12(7-9)18(20)21)16-11-4-5-13-10(6-11)8-15-17-13/h1-8H,(H,15,17)(H,16,19)
InChIKeyAQJJWBZVYKTFJE-UHFFFAOYSA-N
XLogP2.72
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733390
3-nitro-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779436
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76848987
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-nitrobenzamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-nitrobenzamide (CID 17163936) is N-(1H-indazol-5-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-nitrobenzamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-nitrobenzamide is O=C(Nc1ccc2[nH]ncc2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1H-indazol-5-yl)-3-nitrobenzamide?
The InChIKey is AQJJWBZVYKTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(9-2-1-3-12(7-9)18(20)21)16-11-4-5-13-10(6-11)8-15-17-13/h1-8H,(H,15,17)(H,16,19).
What are the key properties of N-(1H-indazol-5-yl)-3-nitrobenzamide?
N-(1H-indazol-5-yl)-3-nitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-nitrobenzamide is sourced from PubChem (CID 17163936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).