propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate

C26H25F4NO3 — CID 71516378

IUPACpropan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate
SMILESCc1cc(-c2cc(F)cc(F)c2)cc(N(C)c2c(F)ccc(OCC(=O)OC(C)C)c2F)c1C
InChIInChI=1S/C26H25F4NO3/c1-14(2)34-24(32)13-33-23-7-6-21(29)26(25(23)30)31(5)22-11-17(8-15(3)16(22)4)18-9-19(27)12-20(28)10-18/h6-12,14H,13H2,1-5H3
InChIKeyPBWPGLDXAZZLSN-UHFFFAOYSA-N
MW475.48 g/mol
LogP6.63
Rot. Bonds7

About propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate

propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate (PubChem CID 71516378) has the molecular formula C26H25F4NO3 and a molecular weight of 475.48 g/mol. Its IUPAC name is propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate
PubChem CID71516378
Molecular FormulaC26H25F4NO3
Molecular Weight475.48 g/mol
Exact Mass475.18
IUPAC Namepropan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate
SMILESCc1cc(-c2cc(F)cc(F)c2)cc(N(C)c2c(F)ccc(OCC(=O)OC(C)C)c2F)c1C
InChIInChI=1S/C26H25F4NO3/c1-14(2)34-24(32)13-33-23-7-6-21(29)26(25(23)30)31(5)22-11-17(8-15(3)16(22)4)18-9-19(27)12-20(28)10-18/h6-12,14H,13H2,1-5H3
InChIKeyPBWPGLDXAZZLSN-UHFFFAOYSA-N
XLogP6.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate 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

propan-2-yl 2-[3-(3-bromo-N,5-dimethylanilino)-2,4-difluorophenoxy]acetate
CID 89444122
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
2-[2,4-difluoro-3-[5-(3-fluorophenyl)-2-hydroxy-N-methylanilino]phenoxy]acetic acid
CID 89443599
2-[2-fluoro-3-[2-fluoro-5-(3-fluorophenyl)-N-methylanilino]-4-methylphenoxy]acetic acid
CID 71515837
propan-2-yl 2-[3-[2-[3-(3-fluorophenyl)-5-hydroxyphenyl]ethyl]-2,4-dimethylphenoxy]acetate
CID 158968298
propan-2-yl 2-[2,4-difluoro-3-[2-[2-fluoro-5-(3-fluorophenyl)phenyl]ethyl]-5-methylphenoxy]acetate
CID 147670995
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
2-[2,4-difluoro-3-[2-fluoro-3-(3-fluorophenyl)-5-methoxy-N-methylanilino]phenoxy]acetic acid
CID 89443874
propan-2-yl 2-(3,4-difluorophenoxy)acetate
CID 60730764
propan-2-yl 2-[3-[[2-fluoro-3-methyl-5-(3-methylphenyl)phenyl]methylamino]-2,4-dimethylphenoxy]acetate
CID 123781006
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
2-[4-fluoro-3-[2-fluoro-5-(3-fluorophenyl)-N-methylanilino]-2,5-dimethylphenoxy]acetic acid
CID 71515990

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate?
The IUPAC name of propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate (CID 71516378) is propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate is Cc1cc(-c2cc(F)cc(F)c2)cc(N(C)c2c(F)ccc(OCC(=O)OC(C)C)c2F)c1C.
What is the InChIKey of propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate?
The InChIKey is PBWPGLDXAZZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4NO3/c1-14(2)34-24(32)13-33-23-7-6-21(29)26(25(23)30)31(5)22-11-17(8-15(3)16(22)4)18-9-19(27)12-20(28)10-18/h6-12,14H,13H2,1-5H3.
What are the key properties of propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate?
propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate has a molecular weight of 475.48 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[5-(3,5-difluorophenyl)-N,2,3-trimethylanilino]-2,4-difluorophenoxy]acetate is sourced from PubChem (CID 71516378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).