N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide

C18H21FN2O2 — CID 9050172

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-15-7-4-3-6-14(15)11-20-18(22)13-23-17-9-5-8-16(19)10-17/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyPNRQLFUHPLMMIC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 9050172) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
PubChem CID9050172
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-15-7-4-3-6-14(15)11-20-18(22)13-23-17-9-5-8-16(19)10-17/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyPNRQLFUHPLMMIC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 24542839
N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
CID 47011877
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110784568
1-[2-(dimethylamino)ethyl]-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 8654435
diethyl-[[2-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073302

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide (CID 9050172) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide is CN(C)Cc1ccccc1CNC(=O)COc1cccc(F)c1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is PNRQLFUHPLMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)12-15-7-4-3-6-14(15)11-20-18(22)13-23-17-9-5-8-16(19)10-17/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9050172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).