2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide

C22H27FN2O3 — CID 133204405

IUPAC2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-16(2)13-24-22(27)17(3)25(14-18-9-7-8-12-20(18)23)21(26)15-28-19-10-5-4-6-11-19/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)
InChIKeyLKGDVRRKMKHPFZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.39
Rot. Bonds9

About 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide

2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 133204405) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID133204405
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1
InChIInChI=1S/C22H27FN2O3/c1-16(2)13-24-22(27)17(3)25(14-18-9-7-8-12-20(18)23)21(26)15-28-19-10-5-4-6-11-19/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)
InChIKeyLKGDVRRKMKHPFZ-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100722840
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100723367
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 132705911
(2R)-2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100719141
2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763275
(2S)-2-[(2-fluorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100723507
2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132705458
(2R)-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633185
2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132986920
(2R)-2-[(2-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-(2-methylpropyl)propanamide
CID 100719250
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172440
2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172531

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide (CID 133204405) is 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is LKGDVRRKMKHPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-16(2)13-24-22(27)17(3)25(14-18-9-7-8-12-20(18)23)21(26)15-28-19-10-5-4-6-11-19/h4-12,16-17H,13-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide?
2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 386.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 133204405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).