2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide

C17H12BrNO5 — CID 2001934

IUPAC2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESNC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1
InChIInChI=1S/C17H12BrNO5/c18-12-3-1-2-4-13(12)24-15-8-23-14-7-10(22-9-16(19)20)5-6-11(14)17(15)21/h1-8H,9H2,(H2,19,20)
InChIKeyRQISBFFPNNURTI-UHFFFAOYSA-N
MW390.19 g/mol
LogP3.21
Rot. Bonds5

About 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide

2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 2001934) has the molecular formula C17H12BrNO5 and a molecular weight of 390.19 g/mol. Its IUPAC name is 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
PubChem CID2001934
Molecular FormulaC17H12BrNO5
Molecular Weight390.19 g/mol
Exact Mass388.99
IUPAC Name2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESNC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1
InChIInChI=1S/C17H12BrNO5/c18-12-3-1-2-4-13(12)24-15-8-23-14-7-10(22-9-16(19)20)5-6-11(14)17(15)21/h1-8H,9H2,(H2,19,20)
InChIKeyRQISBFFPNNURTI-UHFFFAOYSA-N
XLogP3.21
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenoxy)-7-[2-(4-bromophenyl)-2-oxoethoxy]chromen-4-one
CID 2018465
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
[3-(2-bromophenoxy)-4-oxochromen-7-yl] phenyl carbonate
CID 23996254
[3-(2-bromophenoxy)-4-oxochromen-7-yl] 2-bromobenzoate
CID 2024878
[3-(2-bromophenoxy)-4-oxochromen-7-yl] N,N-dimethylcarbamate
CID 1307439
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 906607
[3-(2-bromophenoxy)-4-oxochromen-7-yl] 2-methoxybenzoate
CID 1181326
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide (CID 2001934) is 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide is NC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1.
What is the InChIKey of 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is RQISBFFPNNURTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO5/c18-12-3-1-2-4-13(12)24-15-8-23-14-7-10(22-9-16(19)20)5-6-11(14)17(15)21/h1-8H,9H2,(H2,19,20).
What are the key properties of 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide?
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 390.19 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 2001934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).