ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate

C14H15F2NO2 — CID 62364969

IUPACethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OCC)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2/c1-4-8-17-14(3,13(18)19-5-2)11-7-6-10(15)9-12(11)16/h1,6-7,9,17H,5,8H2,2-3H3
InChIKeyCZGLBEDMZAWWHL-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.97
Rot. Bonds5

About ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate

ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate (PubChem CID 62364969) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
PubChem CID62364969
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
SMILESC#CCNC(C)(C(=O)OCC)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO2/c1-4-8-17-14(3,13(18)19-5-2)11-7-6-10(15)9-12(11)16/h1,6-7,9,17H,5,8H2,2-3H3
InChIKeyCZGLBEDMZAWWHL-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate 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

ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(3-bromo-4-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62915549
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
ethyl 2-(3-bromophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367212
ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
CID 65233544
ethyl 2-(4-methylsulfanylphenyl)-2-(prop-2-ynylamino)propanoate
CID 62367214
ethyl 4-cyano-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049641
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate (CID 62364969) is ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate is C#CCNC(C)(C(=O)OCC)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate?
The InChIKey is CZGLBEDMZAWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-4-8-17-14(3,13(18)19-5-2)11-7-6-10(15)9-12(11)16/h1,6-7,9,17H,5,8H2,2-3H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate?
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate has a molecular weight of 267.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate is sourced from PubChem (CID 62364969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).