3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide

C20H23FN2O3 — CID 113129401

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-26-18-10-8-17(9-11-18)23(15(2)24)13-12-20(25)22-14-16-6-4-5-7-19(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyRGPHWUXFXAXBSI-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.28
Rot. Bonds8

About 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113129401) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113129401
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-26-18-10-8-17(9-11-18)23(15(2)24)13-12-20(25)22-14-16-6-4-5-7-19(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyRGPHWUXFXAXBSI-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113129401) is 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide is CCOc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is RGPHWUXFXAXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-26-18-10-8-17(9-11-18)23(15(2)24)13-12-20(25)22-14-16-6-4-5-7-19(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113129401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).