methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate

C19H19F2NO4 — CID 60609905

IUPACmethyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CCCOc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H19F2NO4/c1-25-19(24)18(13-6-3-2-4-7-13)22-17(23)8-5-11-26-16-10-9-14(20)12-15(16)21/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H,22,23)
InChIKeyFSKZMLBGIFTNCN-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.15
Rot. Bonds8

About methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate

methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate (PubChem CID 60609905) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate
PubChem CID60609905
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Namemethyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)CCCOc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H19F2NO4/c1-25-19(24)18(13-6-3-2-4-7-13)22-17(23)8-5-11-26-16-10-9-14(20)12-15(16)21/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H,22,23)
InChIKeyFSKZMLBGIFTNCN-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate 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

methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
2-[4-(2,4-difluorophenoxy)butanoylamino]-2-methylpropanoic acid
CID 119187526
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
3-[4-(2,4-difluorophenoxy)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120700762
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
CID 119605711
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate (CID 60609905) is methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate is COC(=O)C(NC(=O)CCCOc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate?
The InChIKey is FSKZMLBGIFTNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-25-19(24)18(13-6-3-2-4-7-13)22-17(23)8-5-11-26-16-10-9-14(20)12-15(16)21/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H,22,23).
What are the key properties of methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate?
methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate has a molecular weight of 363.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate is sourced from PubChem (CID 60609905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).