N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide

C19H22FNO3 — CID 109416737

IUPACN,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
SMILESCCN(CC)C(=O)c1cccc(OCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-3-21(4-2)19(23)14-8-7-9-15(12-14)24-13-18(22)16-10-5-6-11-17(16)20/h5-12,18,22H,3-4,13H2,1-2H3
InChIKeyDXXTUNMETABCEW-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.42
Rot. Bonds7

About N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide

N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide (PubChem CID 109416737) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
PubChem CID109416737
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
SMILESCCN(CC)C(=O)c1cccc(OCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-3-21(4-2)19(23)14-8-7-9-15(12-14)24-13-18(22)16-10-5-6-11-17(16)20/h5-12,18,22H,3-4,13H2,1-2H3
InChIKeyDXXTUNMETABCEW-UHFFFAOYSA-N
XLogP3.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide 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

2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
CID 109416721
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
1-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide?
The IUPAC name of N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide (CID 109416737) is N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide.
What is the SMILES notation for N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide?
The canonical SMILES for N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide is CCN(CC)C(=O)c1cccc(OCC(O)c2ccccc2F)c1.
What is the InChIKey of N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide?
The InChIKey is DXXTUNMETABCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-3-21(4-2)19(23)14-8-7-9-15(12-14)24-13-18(22)16-10-5-6-11-17(16)20/h5-12,18,22H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide?
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide has a molecular weight of 331.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide is sourced from PubChem (CID 109416737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).