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

C13H16FNO3 — CID 82175234

IUPACN-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c(C(C)O)cc(F)cc21
InChIInChI=1S/C13H16FNO3/c1-7(16)10-5-9(14)6-11-12(15-8(2)17)3-4-18-13(10)11/h5-7,12,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyYEZALKAVIHMKFW-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.84
Rot. Bonds2

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

N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82175234) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82175234
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2c(C(C)O)cc(F)cc21
InChIInChI=1S/C13H16FNO3/c1-7(16)10-5-9(14)6-11-12(15-8(2)17)3-4-18-13(10)11/h5-7,12,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyYEZALKAVIHMKFW-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-fluoro-8-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175236
N-[6-ethyl-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175168
N-[8-(1-amino-2,2-dimethylpropyl)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175231
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-(1-hydroxy-2-methoxyethyl)-6-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175095
N-[8-(1-amino-2,2-dimethylpropyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82175166
N-[6-(1-hydroxypentyl)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174947
N-[6-(1-hydroxy-2,2-dimethylpropyl)-8-methyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174806
N-[8-fluoro-6-(1-hydroxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 82175009
N-[8-(2-chloropropanoyl)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166073
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82175234) is N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2c(C(C)O)cc(F)cc21.
What is the InChIKey of N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is YEZALKAVIHMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-7(16)10-5-9(14)6-11-12(15-8(2)17)3-4-18-13(10)11/h5-7,12,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-fluoro-8-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 253.27 g/mol, XLogP of 1.84, 2 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-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82175234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).