7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide

C12H11FN2O3 — CID 163723697

IUPAC7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2ccc(NCF)cc2oc1=O
InChIInChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyKTUIJVGIZMJTID-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.49
Rot. Bonds3

About 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide

7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 163723697) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
PubChem CID163723697
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2ccc(NCF)cc2oc1=O
InChIInChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyKTUIJVGIZMJTID-UHFFFAOYSA-N
XLogP1.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide (CID 163723697) is 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide is CNC(=O)c1cc2ccc(NCF)cc2oc1=O.
What is the InChIKey of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is KTUIJVGIZMJTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16).
What are the key properties of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 163723697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).