N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide

C18H21FN2O2 — CID 15137011

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)11-12-23-15-9-7-14(8-10-15)13-20-18(22)16-5-3-4-6-17(16)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXLKOVTSHCLGPQX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.70
Rot. Bonds7

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide (PubChem CID 15137011) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
PubChem CID15137011
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)11-12-23-15-9-7-14(8-10-15)13-20-18(22)16-5-3-4-6-17(16)19/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyXLKOVTSHCLGPQX-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

2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
2-bromo-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 78901621
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxy-5-nitrobenzamide
CID 55857984
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
CID 142171716

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide (CID 15137011) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide is CN(C)CCOc1ccc(CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide?
The InChIKey is XLKOVTSHCLGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)11-12-23-15-9-7-14(8-10-15)13-20-18(22)16-5-3-4-6-17(16)19/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide 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 N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 15137011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).