3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

C18H20FNO2 — CID 94870765

IUPAC3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-20(13-15-5-3-4-6-17(15)22-2)18(21)12-9-14-7-10-16(19)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyRNQIGNGZYYDPLB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.43
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 94870765) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID94870765
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-20(13-15-5-3-4-6-17(15)22-2)18(21)12-9-14-7-10-16(19)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyRNQIGNGZYYDPLB-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-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
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-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (CID 94870765) is 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccccc1CN(C)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is RNQIGNGZYYDPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-20(13-15-5-3-4-6-17(15)22-2)18(21)12-9-14-7-10-16(19)11-8-14/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
3-(4-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-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 94870765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).