N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide

C20H24FNO3 — CID 109416721

IUPACN,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
SMILESCCN(CC)C(=O)c1ccc(OCC(O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C20H24FNO3/c1-4-22(5-2)20(24)15-6-9-17(10-7-15)25-13-19(23)18-11-8-16(21)12-14(18)3/h6-12,19,23H,4-5,13H2,1-3H3
InChIKeyHMLQTFHIQKNCAA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.73
Rot. Bonds7

About N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide

N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide (PubChem CID 109416721) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
PubChem CID109416721
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide
SMILESCCN(CC)C(=O)c1ccc(OCC(O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C20H24FNO3/c1-4-22(5-2)20(24)15-6-9-17(10-7-15)25-13-19(23)18-11-8-16(21)12-14(18)3/h6-12,19,23H,4-5,13H2,1-3H3
InChIKeyHMLQTFHIQKNCAA-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
1-(4-fluoro-2-methylphenyl)-2-(3-nitrophenoxy)ethanol
CID 109413082
6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403426
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416264
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
3-fluoro-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzonitrile
CID 109416164

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide?
The IUPAC name of N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide (CID 109416721) is N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide.
What is the SMILES notation for N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide?
The canonical SMILES for N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide is CCN(CC)C(=O)c1ccc(OCC(O)c2ccc(F)cc2C)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide?
The InChIKey is HMLQTFHIQKNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-22(5-2)20(24)15-6-9-17(10-7-15)25-13-19(23)18-11-8-16(21)12-14(18)3/h6-12,19,23H,4-5,13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide?
N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide has a molecular weight of 345.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]benzamide is sourced from PubChem (CID 109416721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).