3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

C18H20FNO2 — CID 78829784

IUPAC3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-20(13-15-7-3-4-9-17(15)22-2)18(21)11-10-14-6-5-8-16(19)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWJTJKADRUCDMHK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.43
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 78829784) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID78829784
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-20(13-15-7-3-4-9-17(15)22-2)18(21)11-10-14-6-5-8-16(19)12-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyWJTJKADRUCDMHK-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (CID 78829784) is 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccccc1CN(C)C(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is WJTJKADRUCDMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-20(13-15-7-3-4-9-17(15)22-2)18(21)11-10-14-6-5-8-16(19)12-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 301.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 78829784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).