3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

C17H18FNO3 — CID 109416235

IUPAC3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-19(2)17(21)13-4-3-5-15(10-13)22-11-16(20)12-6-8-14(18)9-7-12/h3-10,16,20H,11H2,1-2H3
InChIKeyHPXFBVCVPUXFHD-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide

3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (PubChem CID 109416235) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
PubChem CID109416235
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-19(2)17(21)13-4-3-5-15(10-13)22-11-16(20)12-6-8-14(18)9-7-12/h3-10,16,20H,11H2,1-2H3
InChIKeyHPXFBVCVPUXFHD-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide 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

methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416261
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416246
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide (CID 109416235) is 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(OCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
The InChIKey is HPXFBVCVPUXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-19(2)17(21)13-4-3-5-15(10-13)22-11-16(20)12-6-8-14(18)9-7-12/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide?
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 109416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).