N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C17H11ClN2O6 — CID 2705146

IUPACN-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H11ClN2O6/c18-13-5-3-11(20(23)24)7-14(13)19-16(21)9-25-12-4-1-10-2-6-17(22)26-15(10)8-12/h1-8H,9H2,(H,19,21)
InChIKeyPUOTUSLZBFVBRC-UHFFFAOYSA-N
MW374.74 g/mol
LogP3.37
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2705146) has the molecular formula C17H11ClN2O6 and a molecular weight of 374.74 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2705146
Molecular FormulaC17H11ClN2O6
Molecular Weight374.74 g/mol
Exact Mass374.03
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H11ClN2O6/c18-13-5-3-11(20(23)24)7-14(13)19-16(21)9-25-12-4-1-10-2-6-17(22)26-15(10)8-12/h1-8H,9H2,(H,19,21)
InChIKeyPUOTUSLZBFVBRC-UHFFFAOYSA-N
XLogP3.37
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 53.37
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

2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 17310210
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
CID 23770306

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 2705146) is N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PUOTUSLZBFVBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O6/c18-13-5-3-11(20(23)24)7-14(13)19-16(21)9-25-12-4-1-10-2-6-17(22)26-15(10)8-12/h1-8H,9H2,(H,19,21).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 374.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2705146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).