N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C15H20FNO3 — CID 82175236

IUPACN-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c1cc(F)cc2C(O)C(C)C
InChIInChI=1S/C15H20FNO3/c1-8(2)14(19)12-7-10(16)6-11-13(17-9(3)18)4-5-20-15(11)12/h6-8,13-14,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyIMLAWTMRJCTNAB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.47
Rot. Bonds3

About N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82175236) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82175236
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC NameN-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c1cc(F)cc2C(O)C(C)C
InChIInChI=1S/C15H20FNO3/c1-8(2)14(19)12-7-10(16)6-11-13(17-9(3)18)4-5-20-15(11)12/h6-8,13-14,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyIMLAWTMRJCTNAB-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175234
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[6-ethyl-8-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175174
N-[8-(1-aminoethyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175161
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[8-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[6-(1-hydroxy-2,2-dimethylpropyl)-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174806
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[8-(2-chloropropanoyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166073
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82175236) is N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2c1cc(F)cc2C(O)C(C)C.
What is the InChIKey of N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is IMLAWTMRJCTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-8(2)14(19)12-7-10(16)6-11-13(17-9(3)18)4-5-20-15(11)12/h6-8,13-14,19H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 281.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82175236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).