6-chloro-N-methyl-2-oxochromene-3-carboxamide

C11H8ClNO3 — CID 741766

IUPAC6-chloro-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C11H8ClNO3/c1-13-10(14)8-5-6-4-7(12)2-3-9(6)16-11(8)15/h2-5H,1H3,(H,13,14)
InChIKeyYARJTILKQZQVQX-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.81
Rot. Bonds1

About 6-chloro-N-methyl-2-oxochromene-3-carboxamide

6-chloro-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 741766) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-2-oxochromene-3-carboxamide
PubChem CID741766
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-chloro-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C11H8ClNO3/c1-13-10(14)8-5-6-4-7(12)2-3-9(6)16-11(8)15/h2-5H,1H3,(H,13,14)
InChIKeyYARJTILKQZQVQX-UHFFFAOYSA-N
XLogP1.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-2-oxochromene-3-carboxamide (CID 741766) is 6-chloro-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-2-oxochromene-3-carboxamide is CNC(=O)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is YARJTILKQZQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-13-10(14)8-5-6-4-7(12)2-3-9(6)16-11(8)15/h2-5H,1H3,(H,13,14).
What are the key properties of 6-chloro-N-methyl-2-oxochromene-3-carboxamide?
6-chloro-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 237.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 741766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).