N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C19H16ClNO4 — CID 8882460

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c20-15-3-1-2-13(10-15)8-9-21-18(22)12-24-16-6-4-14-5-7-19(23)25-17(14)11-16/h1-7,10-11H,8-9,12H2,(H,21,22)
InChIKeyKYYXGIYRAUDZGQ-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 8882460) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID8882460
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO4/c20-15-3-1-2-13(10-15)8-9-21-18(22)12-24-16-6-4-14-5-7-19(23)25-17(14)11-16/h1-7,10-11H,8-9,12H2,(H,21,22)
InChIKeyKYYXGIYRAUDZGQ-UHFFFAOYSA-N
XLogP3.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
(3R)-3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid
CID 24816576
3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid
CID 74324640
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 102106076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 8882460) is N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KYYXGIYRAUDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-15-3-1-2-13(10-15)8-9-21-18(22)12-24-16-6-4-14-5-7-19(23)25-17(14)11-16/h1-7,10-11H,8-9,12H2,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 357.79 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 8882460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).