2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide

C21H20FNO4 — CID 24511939

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(C)c(F)c3)ccc12
InChIInChI=1S/C21H20FNO4/c1-4-14-9-20(24)27-19-11-16(7-8-17(14)19)26-13(3)21(25)23-15-6-5-12(2)18(22)10-15/h5-11,13H,4H2,1-3H3,(H,23,25)
InChIKeyYKSSNLOXWUJQQG-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 24511939) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID24511939
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(C)c(F)c3)ccc12
InChIInChI=1S/C21H20FNO4/c1-4-14-9-20(24)27-19-11-16(7-8-17(14)19)26-13(3)21(25)23-15-6-5-12(2)18(22)10-15/h5-11,13H,4H2,1-3H3,(H,23,25)
InChIKeyYKSSNLOXWUJQQG-UHFFFAOYSA-N
XLogP4.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.21
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

(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)propanamide
CID 171909752
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 30580970
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide (CID 24511939) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide is CCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccc(C)c(F)c3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is YKSSNLOXWUJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-4-14-9-20(24)27-19-11-16(7-8-17(14)19)26-13(3)21(25)23-15-6-5-12(2)18(22)10-15/h5-11,13H,4H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 24511939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).