2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C17H18FNO2 — CID 94010767

IUPAC2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3
InChIKeyYRKRVZUNBPRQFT-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.04
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 94010767) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID94010767
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3
InChIKeyYRKRVZUNBPRQFT-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132654013
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 94010767) is 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is YRKRVZUNBPRQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(12-14-5-9-16(21-2)10-6-14)17(20)11-13-3-7-15(18)8-4-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 287.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 94010767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).