N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide

C14H15FN2O3 — CID 110486373

IUPACN-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C14H15FN2O3/c1-17(2)6-5-16-13(18)11-7-9-3-4-10(15)8-12(9)20-14(11)19/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyJJNAEHIQMONOTE-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.22
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide

N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide (PubChem CID 110486373) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide
PubChem CID110486373
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C14H15FN2O3/c1-17(2)6-5-16-13(18)11-7-9-3-4-10(15)8-12(9)20-14(11)19/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeyJJNAEHIQMONOTE-UHFFFAOYSA-N
XLogP1.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide (CID 110486373) is N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide is CN(C)CCNC(=O)c1cc2ccc(F)cc2oc1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide?
The InChIKey is JJNAEHIQMONOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-17(2)6-5-16-13(18)11-7-9-3-4-10(15)8-12(9)20-14(11)19/h3-4,7-8H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-fluoro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110486373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).