3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C20H23FN2O2 — CID 113123573

IUPAC3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C
InChIInChI=1S/C20H23FN2O2/c1-15-7-3-6-10-19(15)23(16(2)24)14-12-20(25)22-13-11-17-8-4-5-9-18(17)21/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyMGWFMJORFQUFNB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.24
Rot. Bonds7

About 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 113123573) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID113123573
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C
InChIInChI=1S/C20H23FN2O2/c1-15-7-3-6-10-19(15)23(16(2)24)14-12-20(25)22-13-11-17-8-4-5-9-18(17)21/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyMGWFMJORFQUFNB-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 113123573) is 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccccc1F)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is MGWFMJORFQUFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-7-3-6-10-19(15)23(16(2)24)14-12-20(25)22-13-11-17-8-4-5-9-18(17)21/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.24, 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-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113123573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).