2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide

C20H18ClNO4 — CID 24520454

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C20H18ClNO4/c1-3-22-20(24)12(2)25-18-11-17-15(9-16(18)21)14(10-19(23)26-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyZTGRJXFMRXVDND-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.02
Rot. Bonds5

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide (PubChem CID 24520454) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
PubChem CID24520454
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C20H18ClNO4/c1-3-22-20(24)12(2)25-18-11-17-15(9-16(18)21)14(10-19(23)26-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyZTGRJXFMRXVDND-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
CID 24520440
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
CID 146342734
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
CID 146306514
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
CID 24520446
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 4975664
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7632023
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide (CID 24520454) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide is CCNC(=O)C(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide?
The InChIKey is ZTGRJXFMRXVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-3-22-20(24)12(2)25-18-11-17-15(9-16(18)21)14(10-19(23)26-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide has a molecular weight of 371.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide is sourced from PubChem (CID 24520454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).