2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide

C20H18ClNO4 — CID 2207766

IUPAC2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)c(Cl)cc12
InChIInChI=1S/C20H18ClNO4/c1-3-13-8-20(24)26-17-10-18(16(21)9-15(13)17)25-11-19(23)22-14-6-4-12(2)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyFYDDSKMLKDARMT-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.33
Rot. Bonds5

About 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide

2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide (PubChem CID 2207766) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
PubChem CID2207766
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)c(Cl)cc12
InChIInChI=1S/C20H18ClNO4/c1-3-13-8-20(24)26-17-10-18(16(21)9-15(13)17)25-11-19(23)22-14-6-4-12(2)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyFYDDSKMLKDARMT-UHFFFAOYSA-N
XLogP4.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.33
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-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
6-chloro-4-ethyl-7-phenacyloxychromen-2-one
CID 4914995
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 4823857
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4906252
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4901940
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
CID 886322

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide (CID 2207766) is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide is CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
The InChIKey is FYDDSKMLKDARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-3-13-8-20(24)26-17-10-18(16(21)9-15(13)17)25-11-19(23)22-14-6-4-12(2)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide?
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide has a molecular weight of 371.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2207766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).