5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide

C15H11N3O4 — CID 15145312

IUPAC5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Nc1ccccc1
InChIInChI=1S/C15H11N3O4/c19-14-9-10-8-12(18(21)22)6-7-13(10)17(14)15(20)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,20)
InChIKeyUODWXGIKDWMDLJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.72
Rot. Bonds2

About 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide

5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide (PubChem CID 15145312) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide.

Molecular Properties

Compound Name5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide
PubChem CID15145312
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Nc1ccccc1
InChIInChI=1S/C15H11N3O4/c19-14-9-10-8-12(18(21)22)6-7-13(10)17(14)15(20)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,20)
InChIKeyUODWXGIKDWMDLJ-UHFFFAOYSA-N
XLogP2.72
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
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

1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 37162780
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
methyl 2-methyl-4-(5-nitro-2-oxo-3H-indol-1-yl)but-2-enoate
CID 77076506
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
1-[1-(2,4-dinitrophenyl)piperidin-4-yl]-3-phenylurea
CID 60570399
4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 55502038
3-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 74650206
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The IUPAC name of 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide (CID 15145312) is 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide.
What is the SMILES notation for 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The canonical SMILES for 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide is O=C1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Nc1ccccc1.
What is the InChIKey of 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide?
The InChIKey is UODWXGIKDWMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-14-9-10-8-12(18(21)22)6-7-13(10)17(14)15(20)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,20).
What are the key properties of 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide?
5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-oxo-N-phenyl-3H-indole-1-carboxamide is sourced from PubChem (CID 15145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).