2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide

C17H10Cl3NO4 — CID 7233726

IUPAC2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3NO4/c18-11-6-13(20)14(7-12(11)19)21-16(22)8-24-10-3-1-9-2-4-17(23)25-15(9)5-10/h1-7H,8H2,(H,21,22)
InChIKeyQSMDPQOHXQEEFY-UHFFFAOYSA-N
MW398.63 g/mol
LogP4.77
Rot. Bonds4

About 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide

2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7233726) has the molecular formula C17H10Cl3NO4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7233726
Molecular FormulaC17H10Cl3NO4
Molecular Weight398.63 g/mol
Exact Mass396.97
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3NO4/c18-11-6-13(20)14(7-12(11)19)21-16(22)8-24-10-3-1-9-2-4-17(23)25-15(9)5-10/h1-7H,8H2,(H,21,22)
InChIKeyQSMDPQOHXQEEFY-UHFFFAOYSA-N
XLogP4.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide (CID 7233726) is 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is QSMDPQOHXQEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3NO4/c18-11-6-13(20)14(7-12(11)19)21-16(22)8-24-10-3-1-9-2-4-17(23)25-15(9)5-10/h1-7H,8H2,(H,21,22).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide?
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 398.63 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7233726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).