N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

C20H18BrNO4 — CID 7700484

IUPACN-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3cccc(Br)c3)ccc12
InChIInChI=1S/C20H18BrNO4/c1-12(2)17-10-20(24)26-18-9-15(6-7-16(17)18)25-11-19(23)22-14-5-3-4-13(21)8-14/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyPRTKAJDAWWWXRE-UHFFFAOYSA-N
MW416.27 g/mol
LogP4.70
Rot. Bonds5

About N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (PubChem CID 7700484) has the molecular formula C20H18BrNO4 and a molecular weight of 416.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
PubChem CID7700484
Molecular FormulaC20H18BrNO4
Molecular Weight416.27 g/mol
Exact Mass415.04
IUPAC NameN-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3cccc(Br)c3)ccc12
InChIInChI=1S/C20H18BrNO4/c1-12(2)17-10-20(24)26-18-9-15(6-7-16(17)18)25-11-19(23)22-14-5-3-4-13(21)8-14/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyPRTKAJDAWWWXRE-UHFFFAOYSA-N
XLogP4.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 54.70
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-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
CID 78933587

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (CID 7700484) is N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3cccc(Br)c3)ccc12.
What is the InChIKey of N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The InChIKey is PRTKAJDAWWWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO4/c1-12(2)17-10-20(24)26-18-9-15(6-7-16(17)18)25-11-19(23)22-14-5-3-4-13(21)8-14/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide has a molecular weight of 416.27 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7700484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).