4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide

C18H19FN2O3 — CID 27822358

IUPAC4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCOc1ccccc1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-12-24-16-5-3-2-4-6-16)17(22)13-20-18(23)14-7-9-15(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyPSQGHKCLYONZLT-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.09
Rot. Bonds7

About 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide (PubChem CID 27822358) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
PubChem CID27822358
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCOc1ccccc1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-12-24-16-5-3-2-4-6-16)17(22)13-20-18(23)14-7-9-15(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyPSQGHKCLYONZLT-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide (CID 27822358) is 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide is CN(CCOc1ccccc1)C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is PSQGHKCLYONZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-21(11-12-24-16-5-3-2-4-6-16)17(22)13-20-18(23)14-7-9-15(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27822358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).