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

C20H23FN2O2 — CID 113120974

IUPAC3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-15-6-5-8-18(14-15)22-20(25)11-13-23(16(2)24)12-10-17-7-3-4-9-19(17)21/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyIQGRXNOKLQAINR-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.55
Rot. Bonds7

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

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 113120974) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID113120974
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-15-6-5-8-18(14-15)22-20(25)11-13-23(16(2)24)12-10-17-7-3-4-9-19(17)21/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyIQGRXNOKLQAINR-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide (CID 113120974) is 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)CCc1ccccc1F.
What is the InChIKey of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is IQGRXNOKLQAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-6-5-8-18(14-15)22-20(25)11-13-23(16(2)24)12-10-17-7-3-4-9-19(17)21/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide?
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113120974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).