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

C16H22FNO3 — CID 82175009

IUPACN-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(F)cc(C(O)C(C)C)cc21
InChIInChI=1S/C16H22FNO3/c1-4-14(19)18-13-5-6-21-16-11(13)7-10(8-12(16)17)15(20)9(2)3/h7-9,13,15,20H,4-6H2,1-3H3,(H,18,19)
InChIKeyXIQCJKIRBVYRKQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.86
Rot. Bonds4

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

N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 82175009) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID82175009
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCCC(=O)NC1CCOc2c(F)cc(C(O)C(C)C)cc21
InChIInChI=1S/C16H22FNO3/c1-4-14(19)18-13-5-6-21-16-11(13)7-10(8-12(16)17)15(20)9(2)3/h7-9,13,15,20H,4-6H2,1-3H3,(H,18,19)
InChIKeyXIQCJKIRBVYRKQ-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-amino-2,2-dimethylpropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175005
N-[6-(1-aminoethyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82175038
N-[6-(1-aminopropyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82175025
N-[8-chloro-6-(1-hydroxypropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175073
N-[6-(1-aminobutyl)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82175049
N-[6-(1-aminopropyl)-8-ethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174910
N-[6-(1-amino-2-methylpropyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174958
N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175236
N-[8-ethyl-6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylbutanamide
CID 82174932
N-[8-(1-amino-2,2-dimethylpropyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175106
N-[6-(1-aminobutyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82174959
N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175234

Frequently Asked Questions

What is the IUPAC name of N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 82175009) is N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide is CCC(=O)NC1CCOc2c(F)cc(C(O)C(C)C)cc21.
What is the InChIKey of N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is XIQCJKIRBVYRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-4-14(19)18-13-5-6-21-16-11(13)7-10(8-12(16)17)15(20)9(2)3/h7-9,13,15,20H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide?
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 295.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 82175009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).