N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C16H20FNO4 — CID 95618463

IUPACN-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCO1)N[C@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C16H20FNO4/c17-11-3-4-15-13(8-11)14(5-7-22-15)18-16(19)10-20-9-12-2-1-6-21-12/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,18,19)/t12-,14-/m0/s1
InChIKeyAGRURCLPSOMATJ-JSGCOSHPSA-N
MW309.34 g/mol
LogP1.96
Rot. Bonds5

About N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 95618463) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
PubChem CID95618463
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC NameN-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCO1)N[C@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C16H20FNO4/c17-11-3-4-15-13(8-11)14(5-7-22-15)18-16(19)10-20-9-12-2-1-6-21-12/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,18,19)/t12-,14-/m0/s1
InChIKeyAGRURCLPSOMATJ-JSGCOSHPSA-N
XLogP1.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide with MolForge

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 46828809
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
2-(1,3-dioxoisoindol-2-yl)-N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 94486393
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
2-amino-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-hydroxypropanamide
CID 110480639
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 95618463) is N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is O=C(COC[C@@H]1CCCO1)N[C@H]1CCOc2ccc(F)cc21.
What is the InChIKey of N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is AGRURCLPSOMATJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20FNO4/c17-11-3-4-15-13(8-11)14(5-7-22-15)18-16(19)10-20-9-12-2-1-6-21-12/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,18,19)/t12-,14-/m0/s1.
What are the key properties of N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 309.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 95618463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).