2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

C21H24FNO4 — CID 18115704

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C21H24FNO4/c1-5-23(13-15-6-8-20(27-4)18(22)10-15)21(25)12-17-11-16(14(2)24)7-9-19(17)26-3/h6-11H,5,12-13H2,1-4H3
InChIKeyACNADISWKRTKCV-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.64
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (PubChem CID 18115704) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
PubChem CID18115704
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C21H24FNO4/c1-5-23(13-15-6-8-20(27-4)18(22)10-15)21(25)12-17-11-16(14(2)24)7-9-19(17)26-3/h6-11H,5,12-13H2,1-4H3
InChIKeyACNADISWKRTKCV-UHFFFAOYSA-N
XLogP3.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78803448
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78788548
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86859490
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide (CID 18115704) is 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
The InChIKey is ACNADISWKRTKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-5-23(13-15-6-8-20(27-4)18(22)10-15)21(25)12-17-11-16(14(2)24)7-9-19(17)26-3/h6-11H,5,12-13H2,1-4H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18115704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).