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

C18H14ClNO5 — CID 2705141

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14ClNO5/c1-23-15-6-4-12(19)8-14(15)20-17(21)10-24-13-5-2-11-3-7-18(22)25-16(11)9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyAGRAYVZJHRMYQF-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.47
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2705141) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2705141
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14ClNO5/c1-23-15-6-4-12(19)8-14(15)20-17(21)10-24-13-5-2-11-3-7-18(22)25-16(11)9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyAGRAYVZJHRMYQF-UHFFFAOYSA-N
XLogP3.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
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
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967063
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 2705141) is N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is AGRAYVZJHRMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-15-6-4-12(19)8-14(15)20-17(21)10-24-13-5-2-11-3-7-18(22)25-16(11)9-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 359.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2705141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).