2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide

C22H27FN2O2 — CID 132655615

IUPAC2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-3-15-24-22(27)17(2)25(16-19-9-12-20(23)13-10-19)21(26)14-11-18-7-5-4-6-8-18/h4-10,12-13,17H,3,11,14-16H2,1-2H3,(H,24,27)
InChIKeyUWUOMURYBNVYKQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.70
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide

2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide (PubChem CID 132655615) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
PubChem CID132655615
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-3-15-24-22(27)17(2)25(16-19-9-12-20(23)13-10-19)21(26)14-11-18-7-5-4-6-8-18/h4-10,12-13,17H,3,11,14-16H2,1-2H3,(H,24,27)
InChIKeyUWUOMURYBNVYKQ-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132668005
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132664191
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-propylpropanamide
CID 132672126
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132655600
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132659384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide (CID 132655615) is 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide?
The InChIKey is UWUOMURYBNVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-15-24-22(27)17(2)25(16-19-9-12-20(23)13-10-19)21(26)14-11-18-7-5-4-6-8-18/h4-10,12-13,17H,3,11,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide?
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 132655615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).