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

C21H25FN2O3 — CID 132655908

IUPAC2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H25FN2O3/c1-3-13-23-21(26)16(2)24(14-17-9-11-18(22)12-10-17)20(25)15-27-19-7-5-4-6-8-19/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyABCCJOUADNYUDT-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.15
Rot. Bonds9

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

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide (PubChem CID 132655908) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
PubChem CID132655908
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H25FN2O3/c1-3-13-23-21(26)16(2)24(14-17-9-11-18(22)12-10-17)20(25)15-27-19-7-5-4-6-8-19/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyABCCJOUADNYUDT-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190
2-[(4-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132658320
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133213178
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132658337
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 100542869
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213185
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575098
(2R)-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523170

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide (CID 132655908) is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide?
The InChIKey is ABCCJOUADNYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-13-23-21(26)16(2)24(14-17-9-11-18(22)12-10-17)20(25)15-27-19-7-5-4-6-8-19/h4-12,16H,3,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide?
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide is sourced from PubChem (CID 132655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).