N-(2-nitrophenyl)-2-oxochromene-3-carboxamide

C16H10N2O5 — CID 2827055

IUPACN-(2-nitrophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10N2O5/c19-15(17-12-6-2-3-7-13(12)18(21)22)11-9-10-5-1-4-8-14(10)23-16(11)20/h1-9H,(H,17,19)
InChIKeyJIPWISGFIWQSDT-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.95
Rot. Bonds3

About N-(2-nitrophenyl)-2-oxochromene-3-carboxamide

N-(2-nitrophenyl)-2-oxochromene-3-carboxamide (PubChem CID 2827055) has the molecular formula C16H10N2O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-oxochromene-3-carboxamide
PubChem CID2827055
Molecular FormulaC16H10N2O5
Molecular Weight310.27 g/mol
Exact Mass310.06
IUPAC NameN-(2-nitrophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2oc1=O
InChIInChI=1S/C16H10N2O5/c19-15(17-12-6-2-3-7-13(12)18(21)22)11-9-10-5-1-4-8-14(10)23-16(11)20/h1-9H,(H,17,19)
InChIKeyJIPWISGFIWQSDT-UHFFFAOYSA-N
XLogP2.95
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724184
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
CID 680602
3-Carboxamido coumarin, 22
CID 4914973
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 76309900

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-2-oxochromene-3-carboxamide (CID 2827055) is N-(2-nitrophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-nitrophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is JIPWISGFIWQSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5/c19-15(17-12-6-2-3-7-13(12)18(21)22)11-9-10-5-1-4-8-14(10)23-16(11)20/h1-9H,(H,17,19).
What are the key properties of N-(2-nitrophenyl)-2-oxochromene-3-carboxamide?
N-(2-nitrophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 310.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2827055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).