N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide

C17H17F2NO2 — CID 177351939

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO2/c1-11(15-8-5-13(18)10-16(15)19)20-17(22)9-4-12-2-6-14(21)7-3-12/h2-3,5-8,10-11,21H,4,9H2,1H3,(H,20,22)
InChIKeyZCLXGFIUPHDGEJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide

N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 177351939) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID177351939
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(O)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO2/c1-11(15-8-5-13(18)10-16(15)19)20-17(22)9-4-12-2-6-14(21)7-3-12/h2-3,5-8,10-11,21H,4,9H2,1H3,(H,20,22)
InChIKeyZCLXGFIUPHDGEJ-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)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

3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477760
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 177351939) is N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide is CC(NC(=O)CCc1ccc(O)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is ZCLXGFIUPHDGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11(15-8-5-13(18)10-16(15)19)20-17(22)9-4-12-2-6-14(21)7-3-12/h2-3,5-8,10-11,21H,4,9H2,1H3,(H,20,22).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 177351939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).