N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

C12H16FNO3 — CID 129053025

IUPACN-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)N[C@H](CO)c1cc(F)cc(OC)c1
InChIInChI=1S/C12H16FNO3/c1-3-12(16)14-11(7-15)8-4-9(13)6-10(5-8)17-2/h4-6,11,15H,3,7H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyYSDYFZGVCPCKRE-LLVKDONJSA-N
MW241.26 g/mol
LogP1.39
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide (PubChem CID 129053025) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
PubChem CID129053025
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)N[C@H](CO)c1cc(F)cc(OC)c1
InChIInChI=1S/C12H16FNO3/c1-3-12(16)14-11(7-15)8-4-9(13)6-10(5-8)17-2/h4-6,11,15H,3,7H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyYSDYFZGVCPCKRE-LLVKDONJSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 163636130
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
CID 137495631
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
methyl 4-(3-fluoro-5-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895472
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
2-[(1R)-5-[5-chloro-2-(methylamino)pyrimidin-4-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]acetamide
CID 129078083
(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
tert-butyl N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 118054562
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
(3R)-3-acetamido-3-(3,5-dimethoxyphenyl)propanoic acid
CID 63650220
6-fluoro-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-5-[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide
CID 164884193
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide (CID 129053025) is N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide is CCC(=O)N[C@H](CO)c1cc(F)cc(OC)c1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide?
The InChIKey is YSDYFZGVCPCKRE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-12(16)14-11(7-15)8-4-9(13)6-10(5-8)17-2/h4-6,11,15H,3,7H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide?
N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 129053025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).