N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide

C18H20F2N2O2 — CID 56823330

IUPACN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
SMILESCN(C)CCOc1ccccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C18H20F2N2O2/c1-22(2)10-11-24-16-9-4-3-6-13(16)12-21-18(23)14-7-5-8-15(19)17(14)20/h3-9H,10-12H2,1-2H3,(H,21,23)
InChIKeyZQOYGFZYGYGXFM-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.84
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide

N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide (PubChem CID 56823330) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
PubChem CID56823330
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
SMILESCN(C)CCOc1ccccc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C18H20F2N2O2/c1-22(2)10-11-24-16-9-4-3-6-13(16)12-21-18(23)14-7-5-8-15(19)17(14)20/h3-9H,10-12H2,1-2H3,(H,21,23)
InChIKeyZQOYGFZYGYGXFM-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide (CID 56823330) is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide is CN(C)CCOc1ccccc1CNC(=O)c1cccc(F)c1F.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide?
The InChIKey is ZQOYGFZYGYGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-22(2)10-11-24-16-9-4-3-6-13(16)12-21-18(23)14-7-5-8-15(19)17(14)20/h3-9H,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide?
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide has a molecular weight of 334.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 56823330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).