N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

C19H16BrNO4 — CID 41402692

IUPACN-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)ccc12
InChIInChI=1S/C19H16BrNO4/c1-2-12-9-19(23)25-17-10-13(7-8-14(12)17)24-11-18(22)21-16-6-4-3-5-15(16)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyOOJJOODGBCOCIZ-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.14
Rot. Bonds5

About N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 41402692) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID41402692
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC NameN-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)ccc12
InChIInChI=1S/C19H16BrNO4/c1-2-12-9-19(23)25-17-10-13(7-8-14(12)17)24-11-18(22)21-16-6-4-3-5-15(16)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyOOJJOODGBCOCIZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.14
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

N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (CID 41402692) is N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is CCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)ccc12.
What is the InChIKey of N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is OOJJOODGBCOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-2-12-9-19(23)25-17-10-13(7-8-14(12)17)24-11-18(22)21-16-6-4-3-5-15(16)20/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 402.24 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 41402692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).