ethyl 6-benzamido-4-oxochromene-2-carboxylate

C19H15NO5 — CID 22471894

IUPACethyl 6-benzamido-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(NC(=O)c3ccccc3)ccc2o1
InChIInChI=1S/C19H15NO5/c1-2-24-19(23)17-11-15(21)14-10-13(8-9-16(14)25-17)20-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyHYGPBMJFDLLISE-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.22
Rot. Bonds4

About ethyl 6-benzamido-4-oxochromene-2-carboxylate

ethyl 6-benzamido-4-oxochromene-2-carboxylate (PubChem CID 22471894) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is ethyl 6-benzamido-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzamido-4-oxochromene-2-carboxylate
PubChem CID22471894
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Nameethyl 6-benzamido-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(NC(=O)c3ccccc3)ccc2o1
InChIInChI=1S/C19H15NO5/c1-2-24-19(23)17-11-15(21)14-10-13(8-9-16(14)25-17)20-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyHYGPBMJFDLLISE-UHFFFAOYSA-N
XLogP3.22
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 10575476

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzamido-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 6-benzamido-4-oxochromene-2-carboxylate (CID 22471894) is ethyl 6-benzamido-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 6-benzamido-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 6-benzamido-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(NC(=O)c3ccccc3)ccc2o1.
What is the InChIKey of ethyl 6-benzamido-4-oxochromene-2-carboxylate?
The InChIKey is HYGPBMJFDLLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-2-24-19(23)17-11-15(21)14-10-13(8-9-16(14)25-17)20-18(22)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 6-benzamido-4-oxochromene-2-carboxylate?
ethyl 6-benzamido-4-oxochromene-2-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzamido-4-oxochromene-2-carboxylate is sourced from PubChem (CID 22471894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).