6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide

C15H16FNO4 — CID 16766356

IUPAC6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide
SMILESO=C1CC(C(=O)NCC2CCCO2)Oc2ccc(F)cc21
InChIInChI=1S/C15H16FNO4/c16-9-3-4-13-11(6-9)12(18)7-14(21-13)15(19)17-8-10-2-1-5-20-10/h3-4,6,10,14H,1-2,5,7-8H2,(H,17,19)
InChIKeyDZGLNORJZBTRLN-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.45
Rot. Bonds3

About 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide

6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide (PubChem CID 16766356) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide
PubChem CID16766356
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide
SMILESO=C1CC(C(=O)NCC2CCCO2)Oc2ccc(F)cc21
InChIInChI=1S/C15H16FNO4/c16-9-3-4-13-11(6-9)12(18)7-14(21-13)15(19)17-8-10-2-1-5-20-10/h3-4,6,10,14H,1-2,5,7-8H2,(H,17,19)
InChIKeyDZGLNORJZBTRLN-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
CID 35339058
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 100856248
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
(2S)-5-fluoro-N-[2-methyl-2-[(2R)-oxan-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96541205
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide (CID 16766356) is 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide is O=C1CC(C(=O)NCC2CCCO2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide?
The InChIKey is DZGLNORJZBTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-9-3-4-13-11(6-9)12(18)7-14(21-13)15(19)17-8-10-2-1-5-20-10/h3-4,6,10,14H,1-2,5,7-8H2,(H,17,19).
What are the key properties of 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide?
6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 16766356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).