1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide

C16H10N2O5 — CID 54689424

IUPAC1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H10N2O5/c19-14-11-3-1-2-4-12(11)15(20)13(14)16(21)17-9-5-7-10(8-6-9)18(22)23/h1-8,19H,(H,17,21)
InChIKeyIHBJRTYAEOIOSF-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.70
Rot. Bonds3

About 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide

1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide (PubChem CID 54689424) has the molecular formula C16H10N2O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide
PubChem CID54689424
Molecular FormulaC16H10N2O5
Molecular Weight310.27 g/mol
Exact Mass310.06
IUPAC Name1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H10N2O5/c19-14-11-3-1-2-4-12(11)15(20)13(14)16(21)17-9-5-7-10(8-6-9)18(22)23/h1-8,19H,(H,17,21)
InChIKeyIHBJRTYAEOIOSF-UHFFFAOYSA-N
XLogP2.70
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
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N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide
CID 135516915
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide (CID 54689424) is 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide?
The InChIKey is IHBJRTYAEOIOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5/c19-14-11-3-1-2-4-12(11)15(20)13(14)16(21)17-9-5-7-10(8-6-9)18(22)23/h1-8,19H,(H,17,21).
What are the key properties of 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide?
1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide has a molecular weight of 310.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide is sourced from PubChem (CID 54689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).