2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H24F2N2O2 — CID 18191553

IUPAC2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H24F2N2O2/c1-3-24(13-16-6-9-19(26-2)18(22)12-16)14-20(25)23-11-10-15-4-7-17(21)8-5-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeySYSZTPZHQIXYCU-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.15
Rot. Bonds9

About 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 18191553) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID18191553
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H24F2N2O2/c1-3-24(13-16-6-9-19(26-2)18(22)12-16)14-20(25)23-11-10-15-4-7-17(21)8-5-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeySYSZTPZHQIXYCU-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16620430
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
CID 9044326

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 18191553) is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CCN(CC(=O)NCCc1ccc(F)cc1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SYSZTPZHQIXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-3-24(13-16-6-9-19(26-2)18(22)12-16)14-20(25)23-11-10-15-4-7-17(21)8-5-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 362.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18191553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).