2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide

C18H18FNO3 — CID 30843339

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(21)14-5-8-17(23-2)15(9-14)10-18(22)20-11-13-3-6-16(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyUMYBWALPVVOYGK-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.90
Rot. Bonds6

About 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 30843339) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID30843339
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-12(21)14-5-8-17(23-2)15(9-14)10-18(22)20-11-13-3-6-16(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyUMYBWALPVVOYGK-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 30843339) is 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UMYBWALPVVOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(21)14-5-8-17(23-2)15(9-14)10-18(22)20-11-13-3-6-16(19)7-4-13/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 30843339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).