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

C20H23FN2O3 — CID 9252847

IUPAC2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-4-26-19-10-5-15(14(2)24)11-16(19)12-23(3)13-20(25)22-18-8-6-17(21)7-9-18/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyKMIDFLFEBDAFBS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.50
Rot. Bonds8

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

2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9252847) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9252847
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-4-26-19-10-5-15(14(2)24)11-16(19)12-23(3)13-20(25)22-18-8-6-17(21)7-9-18/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyKMIDFLFEBDAFBS-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
N-(3,5-dimethylphenyl)-2-[(2-ethoxyphenyl)methyl-methylamino]acetamide
CID 78899721
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588168
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
(E)-3-(3,4-diethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9440936
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 9252847) is 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is KMIDFLFEBDAFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-4-26-19-10-5-15(14(2)24)11-16(19)12-23(3)13-20(25)22-18-8-6-17(21)7-9-18/h5-11H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9252847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).