2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide

C18H14N2O6 — CID 2925103

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C18H14N2O6/c1-11-8-18(22)26-16-9-12(6-7-13(11)16)25-10-17(21)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFDKOEVKQRAMVSH-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide (PubChem CID 2925103) has the molecular formula C18H14N2O6 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
PubChem CID2925103
Molecular FormulaC18H14N2O6
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C18H14N2O6/c1-11-8-18(22)26-16-9-12(6-7-13(11)16)25-10-17(21)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFDKOEVKQRAMVSH-UHFFFAOYSA-N
XLogP3.03
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide (CID 2925103) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3[N+](=O)[O-])ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide?
The InChIKey is FDKOEVKQRAMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6/c1-11-8-18(22)26-16-9-12(6-7-13(11)16)25-10-17(21)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide has a molecular weight of 354.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2925103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).