N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide

C12H16FNO3 — CID 107690752

IUPACN-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO3/c1-2-14-12(16)5-6-17-11-4-3-9(8-15)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyDXZAZPCUMKKYSF-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.22
Rot. Bonds6

About N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide

N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide (PubChem CID 107690752) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
PubChem CID107690752
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO3/c1-2-14-12(16)5-6-17-11-4-3-9(8-15)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyDXZAZPCUMKKYSF-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
3-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]-N-ethylpropanamide
CID 63044681
2-[3-(ethylamino)-3-oxopropoxy]-5-fluorobenzenesulfonyl chloride
CID 82910267
4-[3-(ethylamino)-3-oxopropoxy]-3-(trifluoromethyl)benzoic acid
CID 63320573
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
3-[4-(2-aminobutyl)-2-fluorophenoxy]-N-propan-2-ylpropanamide
CID 107693264
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 115163095
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
5-bromo-2-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62326683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide (CID 107690752) is N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide is CCNC(=O)CCOc1ccc(CO)cc1F.
What is the InChIKey of N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is DXZAZPCUMKKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-14-12(16)5-6-17-11-4-3-9(8-15)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide?
N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 241.26 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-fluoro-4-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 107690752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).