N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide

C12H16FNO3 — CID 163636130

IUPACN-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)NC(CO)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-3-12(16)14-10(7-15)8-4-5-11(17-2)9(13)6-8/h4-6,10,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyIAGJTTCPXHTTNW-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.39
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide

N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide (PubChem CID 163636130) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
PubChem CID163636130
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)NC(CO)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-3-12(16)14-10(7-15)8-4-5-11(17-2)9(13)6-8/h4-6,10,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyIAGJTTCPXHTTNW-UHFFFAOYSA-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

3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 129053025
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide (CID 163636130) is N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide is CCC(=O)NC(CO)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide?
The InChIKey is IAGJTTCPXHTTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-12(16)14-10(7-15)8-4-5-11(17-2)9(13)6-8/h4-6,10,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide?
N-[1-(3-fluoro-4-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-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 163636130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).