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

C20H23FN2O2 — CID 113119260

IUPAC3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-5-3-4-6-18(15)13-22-20(25)11-12-23(16(2)24)14-17-7-9-19(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyBNTNHFRVPLBFFY-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.19
Rot. Bonds7

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

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113119260) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113119260
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-5-3-4-6-18(15)13-22-20(25)11-12-23(16(2)24)14-17-7-9-19(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyBNTNHFRVPLBFFY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113119269
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide (CID 113119260) is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccc(F)cc1.
What is the InChIKey of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is BNTNHFRVPLBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-5-3-4-6-18(15)13-22-20(25)11-12-23(16(2)24)14-17-7-9-19(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide?
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113119260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).