ethyl 4-(2,5-difluoroanilino)benzoate

C15H13F2NO2 — CID 82535791

IUPACethyl 4-(2,5-difluoroanilino)benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2H2,1H3
InChIKeyPWAWJUQJZHEIGH-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.89
Rot. Bonds4

About ethyl 4-(2,5-difluoroanilino)benzoate

ethyl 4-(2,5-difluoroanilino)benzoate (PubChem CID 82535791) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is ethyl 4-(2,5-difluoroanilino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2,5-difluoroanilino)benzoate
PubChem CID82535791
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Nameethyl 4-(2,5-difluoroanilino)benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2H2,1H3
InChIKeyPWAWJUQJZHEIGH-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-3-(2,5-difluoroanilino)benzoate
CID 82776005
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
ethyl 4-(2-amino-5-chloroanilino)benzoate
CID 69243688
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-fluoro-3-hydrazinylbenzoate
CID 130822836
ethyl 4-[[2-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906518
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
ethyl 3-amino-4-(3,5-difluoroanilino)benzoate
CID 61306739
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-difluoroanilino)benzoate?
The IUPAC name of ethyl 4-(2,5-difluoroanilino)benzoate (CID 82535791) is ethyl 4-(2,5-difluoroanilino)benzoate.
What is the SMILES notation for ethyl 4-(2,5-difluoroanilino)benzoate?
The canonical SMILES for ethyl 4-(2,5-difluoroanilino)benzoate is CCOC(=O)c1ccc(Nc2cc(F)ccc2F)cc1.
What is the InChIKey of ethyl 4-(2,5-difluoroanilino)benzoate?
The InChIKey is PWAWJUQJZHEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2H2,1H3.
What are the key properties of ethyl 4-(2,5-difluoroanilino)benzoate?
ethyl 4-(2,5-difluoroanilino)benzoate has a molecular weight of 277.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-difluoroanilino)benzoate is sourced from PubChem (CID 82535791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).