6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide

C19H16ClNO4 — CID 35132530

IUPAC6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1coc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-24-16-7-5-4-6-15(16)21-19(23)13-10-25-17-8-11(2)14(20)9-12(17)18(13)22/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyQZBNIUPTYCCPJZ-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide

6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide (PubChem CID 35132530) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide
PubChem CID35132530
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1coc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C19H16ClNO4/c1-3-24-16-7-5-4-6-15(16)21-19(23)13-10-25-17-8-11(2)14(20)9-12(17)18(13)22/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyQZBNIUPTYCCPJZ-UHFFFAOYSA-N
XLogP4.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide (CID 35132530) is 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide is CCOc1ccccc1NC(=O)c1coc2cc(C)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide?
The InChIKey is QZBNIUPTYCCPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-3-24-16-7-5-4-6-15(16)21-19(23)13-10-25-17-8-11(2)14(20)9-12(17)18(13)22/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide?
6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide has a molecular weight of 357.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxyphenyl)-7-methyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 35132530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).