ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate

C19H21F2NO4 — CID 162536758

IUPACethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)(F)C(Nc1ccccc1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H21F2NO4/c1-4-26-18(23)19(20,21)17(13-9-11-14(24-2)12-10-13)22-15-7-5-6-8-16(15)25-3/h5-12,17,22H,4H2,1-3H3
InChIKeyZSAAVJMYEGAGQX-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.06
Rot. Bonds8

About ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate

ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate (PubChem CID 162536758) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
PubChem CID162536758
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC Nameethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)(F)C(Nc1ccccc1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H21F2NO4/c1-4-26-18(23)19(20,21)17(13-9-11-14(24-2)12-10-13)22-15-7-5-6-8-16(15)25-3/h5-12,17,22H,4H2,1-3H3
InChIKeyZSAAVJMYEGAGQX-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoate
CID 171239890
ethyl 2-fluoro-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 139665562
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate
CID 15259432
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
diethyl 2-[acetamido-(4-methoxyphenyl)methyl]-2-ethylpropanedioate
CID 3786807
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate (CID 162536758) is ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate is CCOC(=O)C(F)(F)C(Nc1ccccc1OC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is ZSAAVJMYEGAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-4-26-18(23)19(20,21)17(13-9-11-14(24-2)12-10-13)22-15-7-5-6-8-16(15)25-3/h5-12,17,22H,4H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate?
ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 365.38 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 162536758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).