N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide

C20H25FN2O2 — CID 8947910

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O2/c1-3-23(4-2)14-17-11-9-16(10-12-17)13-22-20(24)15-25-19-8-6-5-7-18(19)21/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyPONMQIUOQFFMJQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.36
Rot. Bonds9

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 8947910) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID8947910
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C20H25FN2O2/c1-3-23(4-2)14-17-11-9-16(10-12-17)13-22-20(24)15-25-19-8-6-5-7-18(19)21/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyPONMQIUOQFFMJQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8948095
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990508
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 31544159
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide (CID 8947910) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide is CCN(CC)Cc1ccc(CNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is PONMQIUOQFFMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-3-23(4-2)14-17-11-9-16(10-12-17)13-22-20(24)15-25-19-8-6-5-7-18(19)21/h5-12H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 8947910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).