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

C20H23FN2O2 — CID 113125183

IUPAC3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCc1ccccc1N(CCC(=O)NCc1ccccc1F)C(C)=O
InChIInChI=1S/C20H23FN2O2/c1-3-16-8-5-7-11-19(16)23(15(2)24)13-12-20(25)22-14-17-9-4-6-10-18(17)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyOKJAKFWJISFWBK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.45
Rot. Bonds7

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

3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113125183) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113125183
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCc1ccccc1N(CCC(=O)NCc1ccccc1F)C(C)=O
InChIInChI=1S/C20H23FN2O2/c1-3-16-8-5-7-11-19(16)23(15(2)24)13-12-20(25)22-14-17-9-4-6-10-18(17)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyOKJAKFWJISFWBK-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113125183) is 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide is CCc1ccccc1N(CCC(=O)NCc1ccccc1F)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is OKJAKFWJISFWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-16-8-5-7-11-19(16)23(15(2)24)13-12-20(25)22-14-17-9-4-6-10-18(17)21/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113125183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).