2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H25FN2O4 — CID 60516756

IUPAC2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O4/c1-5-23(16-8-6-7-15(21)11-16)13-19(24)22-12-14-9-17(25-2)20(27-4)18(10-14)26-3/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyMGGOEGRZJCADRZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.99
Rot. Bonds9

About 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 60516756) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID60516756
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O4/c1-5-23(16-8-6-7-15(21)11-16)13-19(24)22-12-14-9-17(25-2)20(27-4)18(10-14)26-3/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyMGGOEGRZJCADRZ-UHFFFAOYSA-N
XLogP2.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55446177
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30221910
2-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 48850397
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(N,2,3-trimethylanilino)acetamide
CID 60525101
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
4-(4-fluorophenyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 9483235
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111285351

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 60516756) is 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is CCN(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1cccc(F)c1.
What is the InChIKey of 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is MGGOEGRZJCADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-5-23(16-8-6-7-15(21)11-16)13-19(24)22-12-14-9-17(25-2)20(27-4)18(10-14)26-3/h6-11H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 376.43 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60516756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).