3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

C15H11N3O4 — CID 40805087

IUPAC3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESO=C1Cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2N1
InChIInChI=1S/C15H11N3O4/c19-14-8-10-6-11(4-5-13(10)17-14)16-15(20)9-2-1-3-12(7-9)18(21)22/h1-7H,8H2,(H,16,20)(H,17,19)
InChIKeyDJIIFSGSSDRZBP-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.34
Rot. Bonds3

About 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 40805087) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID40805087
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESO=C1Cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2N1
InChIInChI=1S/C15H11N3O4/c19-14-8-10-6-11(4-5-13(10)17-14)16-15(20)9-2-1-3-12(7-9)18(21)22/h1-7H,8H2,(H,16,20)(H,17,19)
InChIKeyDJIIFSGSSDRZBP-UHFFFAOYSA-N
XLogP2.34
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.34
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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
ethyl 3-methyl-6-[(3-nitrobenzoyl)amino]-2-oxo-1H-indole-3-carboxylate
CID 21272699
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-nitrobenzamide
CID 40946921
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 40805087) is 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is O=C1Cc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2N1.
What is the InChIKey of 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is DJIIFSGSSDRZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-14-8-10-6-11(4-5-13(10)17-14)16-15(20)9-2-1-3-12(7-9)18(21)22/h1-7H,8H2,(H,16,20)(H,17,19).
What are the key properties of 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 297.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 40805087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).