ethyl 5-amino-2-(2-fluoroanilino)benzoate

C15H15FN2O2 — CID 61305653

IUPACethyl 5-amino-2-(2-fluoroanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)11-9-10(17)7-8-13(11)18-14-6-4-3-5-12(14)16/h3-9,18H,2,17H2,1H3
InChIKeyFVJCIAFXNMWRSW-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.33
Rot. Bonds4

About ethyl 5-amino-2-(2-fluoroanilino)benzoate

ethyl 5-amino-2-(2-fluoroanilino)benzoate (PubChem CID 61305653) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-fluoroanilino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-fluoroanilino)benzoate
PubChem CID61305653
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Nameethyl 5-amino-2-(2-fluoroanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-15(19)11-9-10(17)7-8-13(11)18-14-6-4-3-5-12(14)16/h3-9,18H,2,17H2,1H3
InChIKeyFVJCIAFXNMWRSW-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
ethyl 5-amino-2-(2-bromo-3-chloroanilino)benzoate
CID 103481240
ethyl 5-amino-2-(2,4-dibromoanilino)benzoate
CID 63423028
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 5-amino-2-(3-ethylanilino)benzoate
CID 63425793

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-fluoroanilino)benzoate?
The IUPAC name of ethyl 5-amino-2-(2-fluoroanilino)benzoate (CID 61305653) is ethyl 5-amino-2-(2-fluoroanilino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(2-fluoroanilino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(2-fluoroanilino)benzoate is CCOC(=O)c1cc(N)ccc1Nc1ccccc1F.
What is the InChIKey of ethyl 5-amino-2-(2-fluoroanilino)benzoate?
The InChIKey is FVJCIAFXNMWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-15(19)11-9-10(17)7-8-13(11)18-14-6-4-3-5-12(14)16/h3-9,18H,2,17H2,1H3.
What are the key properties of ethyl 5-amino-2-(2-fluoroanilino)benzoate?
ethyl 5-amino-2-(2-fluoroanilino)benzoate has a molecular weight of 274.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-fluoroanilino)benzoate is sourced from PubChem (CID 61305653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).