N-(1H-indol-4-yl)-3-nitrobenzamide

C15H11N3O3 — CID 57067531

IUPACN-(1H-indol-4-yl)-3-nitrobenzamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c19-15(10-3-1-4-11(9-10)18(20)21)17-14-6-2-5-13-12(14)7-8-16-13/h1-9,16H,(H,17,19)
InChIKeyNNWUZZHBINOJSP-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.33
Rot. Bonds3

About N-(1H-indol-4-yl)-3-nitrobenzamide

N-(1H-indol-4-yl)-3-nitrobenzamide (PubChem CID 57067531) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-3-nitrobenzamide
PubChem CID57067531
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-(1H-indol-4-yl)-3-nitrobenzamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c19-15(10-3-1-4-11(9-10)18(20)21)17-14-6-2-5-13-12(14)7-8-16-13/h1-9,16H,(H,17,19)
InChIKeyNNWUZZHBINOJSP-UHFFFAOYSA-N
XLogP3.33
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-acetamidophenyl)-3-nitrobenzamide
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3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76848987
N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
CID 71705732
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
CID 3937825
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-3-nitrobenzamide?
The IUPAC name of N-(1H-indol-4-yl)-3-nitrobenzamide (CID 57067531) is N-(1H-indol-4-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(1H-indol-4-yl)-3-nitrobenzamide?
The canonical SMILES for N-(1H-indol-4-yl)-3-nitrobenzamide is O=C(Nc1cccc2[nH]ccc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(1H-indol-4-yl)-3-nitrobenzamide?
The InChIKey is NNWUZZHBINOJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15(10-3-1-4-11(9-10)18(20)21)17-14-6-2-5-13-12(14)7-8-16-13/h1-9,16H,(H,17,19).
What are the key properties of N-(1H-indol-4-yl)-3-nitrobenzamide?
N-(1H-indol-4-yl)-3-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-3-nitrobenzamide is sourced from PubChem (CID 57067531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).