2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate

C25H23F2NO3 — CID 126609867

IUPAC2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C25H23F2NO3/c1-16(2)25(30)31-13-12-17-6-3-4-9-23(17)28-24(29)21-15-19(10-11-22(21)27)18-7-5-8-20(26)14-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29)
InChIKeyCEXQLCIHZUZADP-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.63
Rot. Bonds7

About 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate

2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate (PubChem CID 126609867) has the molecular formula C25H23F2NO3 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate
PubChem CID126609867
Molecular FormulaC25H23F2NO3
Molecular Weight423.46 g/mol
Exact Mass423.16
IUPAC Name2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C25H23F2NO3/c1-16(2)25(30)31-13-12-17-6-3-4-9-23(17)28-24(29)21-15-19(10-11-22(21)27)18-7-5-8-20(26)14-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29)
InChIKeyCEXQLCIHZUZADP-UHFFFAOYSA-N
XLogP5.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate
CID 126609860
propan-2-yl 4-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]-1-benzofuran-2-carboxylate
CID 126609853
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
2-fluoro-4-hydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102978268
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
4-fluoro-2-methyl-N-(2-propylphenyl)benzamide
CID 115745651
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate?
The IUPAC name of 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate (CID 126609867) is 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate is CC(C)C(=O)OCCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F.
What is the InChIKey of 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate?
The InChIKey is CEXQLCIHZUZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO3/c1-16(2)25(30)31-13-12-17-6-3-4-9-23(17)28-24(29)21-15-19(10-11-22(21)27)18-7-5-8-20(26)14-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate?
2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate has a molecular weight of 423.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate is sourced from PubChem (CID 126609867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).