N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C17H12N2O6 — CID 2705142

IUPACN-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N2O6/c20-16(18-12-2-1-3-13(8-12)19(22)23)10-24-14-6-4-11-5-7-17(21)25-15(11)9-14/h1-9H,10H2,(H,18,20)
InChIKeyCTSNEAOIGKPGDN-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.72
Rot. Bonds5

About N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2705142) has the molecular formula C17H12N2O6 and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2705142
Molecular FormulaC17H12N2O6
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC NameN-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N2O6/c20-16(18-12-2-1-3-13(8-12)19(22)23)10-24-14-6-4-11-5-7-17(21)25-15(11)9-14/h1-9H,10H2,(H,18,20)
InChIKeyCTSNEAOIGKPGDN-UHFFFAOYSA-N
XLogP2.72
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.72
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-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46465678
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
7-[2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55742541
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 2705142) is N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is CTSNEAOIGKPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6/c20-16(18-12-2-1-3-13(8-12)19(22)23)10-24-14-6-4-11-5-7-17(21)25-15(11)9-14/h1-9H,10H2,(H,18,20).
What are the key properties of N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 340.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2705142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).