2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide

C16H23FN2O3 — CID 133213000

IUPAC2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCOC
InChIInChI=1S/C16H23FN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyRXGYMYFVNZYYFV-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.72
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide

2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 133213000) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
PubChem CID133213000
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCOC
InChIInChI=1S/C16H23FN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyRXGYMYFVNZYYFV-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133149381
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149813
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 100575272
N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045670
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149737
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 133149680
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
N-ethyl-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132662707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide (CID 133213000) is 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide is CCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCCOC.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RXGYMYFVNZYYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-4-15(20)19(11-13-5-7-14(17)8-6-13)12(2)16(21)18-9-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide?
2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 310.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 133213000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).