ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate

C20H23F2NO2 — CID 175326987

IUPACethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate
SMILESCCOC(=O)CC(N)c1cc(-c2cccc(F)c2C)c(C)c(C)c1F
InChIInChI=1S/C20H23F2NO2/c1-5-25-19(24)10-18(23)16-9-15(11(2)12(3)20(16)22)14-7-6-8-17(21)13(14)4/h6-9,18H,5,10,23H2,1-4H3
InChIKeyFWWMULOZDPRVSB-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.51
Rot. Bonds5

About ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate

ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate (PubChem CID 175326987) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate
PubChem CID175326987
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate
SMILESCCOC(=O)CC(N)c1cc(-c2cccc(F)c2C)c(C)c(C)c1F
InChIInChI=1S/C20H23F2NO2/c1-5-25-19(24)10-18(23)16-9-15(11(2)12(3)20(16)22)14-7-6-8-17(21)13(14)4/h6-9,18H,5,10,23H2,1-4H3
InChIKeyFWWMULOZDPRVSB-UHFFFAOYSA-N
XLogP4.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
ethyl (3S)-3-amino-3-[5-(2,6-dimethylphenyl)-2,3-difluorophenyl]propanoate;hydrochloride
CID 168984502
ethyl (3S)-3-amino-3-[3-(2,3-difluorophenyl)phenyl]propanoate
CID 140935410
ethyl (3S)-3-amino-3-[2-fluoro-5-(2-fluoro-6-methylphenyl)-3-methylphenyl]propanoate;ethyl (3S)-3-[2-fluoro-5-(2-fluoro-6-methylphenyl)-3-methylphenyl]butanoate
CID 161436729
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
ethyl (3R)-3-amino-3-(2,4,5-trifluorophenyl)propanoate;hydrochloride
CID 171209934
ethyl (3S)-3-amino-3-(3,4,5-trifluorophenyl)propanoate
CID 78924028
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
ethyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanoate
CID 104980074
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate?
The IUPAC name of ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate (CID 175326987) is ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate.
What is the SMILES notation for ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate?
The canonical SMILES for ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate is CCOC(=O)CC(N)c1cc(-c2cccc(F)c2C)c(C)c(C)c1F.
What is the InChIKey of ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate?
The InChIKey is FWWMULOZDPRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-5-25-19(24)10-18(23)16-9-15(11(2)12(3)20(16)22)14-7-6-8-17(21)13(14)4/h6-9,18H,5,10,23H2,1-4H3.
What are the key properties of ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate?
ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate has a molecular weight of 347.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate is sourced from PubChem (CID 175326987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).