2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide

C18H21FN2O2 — CID 86991961

IUPAC2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-21(2)11-12-23-17-10-6-4-8-15(17)18(22)20-13-14-7-3-5-9-16(14)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyVXVGAEDGFBXKPB-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.70
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide

2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 86991961) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID86991961
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-21(2)11-12-23-17-10-6-4-8-15(17)18(22)20-13-14-7-3-5-9-16(14)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyVXVGAEDGFBXKPB-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18152498
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide (CID 86991961) is 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide is CN(C)CCOc1ccccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is VXVGAEDGFBXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)11-12-23-17-10-6-4-8-15(17)18(22)20-13-14-7-3-5-9-16(14)19/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide?
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 86991961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).