6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide

C23H16BrNO5 — CID 1045606

IUPAC6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
SMILESCOc1cc(Br)cc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc12
InChIInChI=1S/C23H16BrNO5/c1-28-20-13-15(24)11-14-12-17(23(27)30-21(14)20)22(26)25-18-9-5-6-10-19(18)29-16-7-3-2-4-8-16/h2-13H,1H3,(H,25,26)
InChIKeyJYGPXZUIUSVNAU-UHFFFAOYSA-N
MW466.29 g/mol
LogP5.61
Rot. Bonds5

About 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide

6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide (PubChem CID 1045606) has the molecular formula C23H16BrNO5 and a molecular weight of 466.29 g/mol. Its IUPAC name is 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
PubChem CID1045606
Molecular FormulaC23H16BrNO5
Molecular Weight466.29 g/mol
Exact Mass465.02
IUPAC Name6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
SMILESCOc1cc(Br)cc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc12
InChIInChI=1S/C23H16BrNO5/c1-28-20-13-15(24)11-14-12-17(23(27)30-21(14)20)22(26)25-18-9-5-6-10-19(18)29-16-7-3-2-4-8-16/h2-13H,1H3,(H,25,26)
InChIKeyJYGPXZUIUSVNAU-UHFFFAOYSA-N
XLogP5.61
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.29
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-hydroxyphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 1288481
N-benzhydryl-6-bromo-8-methoxy-2-oxochromene-3-carboxamide
CID 2200526
6-bromo-3-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-8-methoxychromen-2-one
CID 12002444
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
6,8-dibromo-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 1111870
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
CID 19133047
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide (CID 1045606) is 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide is COc1cc(Br)cc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc12.
What is the InChIKey of 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide?
The InChIKey is JYGPXZUIUSVNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrNO5/c1-28-20-13-15(24)11-14-12-17(23(27)30-21(14)20)22(26)25-18-9-5-6-10-19(18)29-16-7-3-2-4-8-16/h2-13H,1H3,(H,25,26).
What are the key properties of 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide?
6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide has a molecular weight of 466.29 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 1045606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).