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

C14H13FN2O2 — CID 61306024

IUPACmethyl 5-amino-2-(2-fluoroanilino)benzoate
SMILESCOC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)10-8-9(16)6-7-12(10)17-13-5-3-2-4-11(13)15/h2-8,17H,16H2,1H3
InChIKeyYNFRHXVIUSMLTA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.94
Rot. Bonds3

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

methyl 5-amino-2-(2-fluoroanilino)benzoate (PubChem CID 61306024) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 5-amino-2-(2-fluoroanilino)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-fluoroanilino)benzoate
PubChem CID61306024
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 5-amino-2-(2-fluoroanilino)benzoate
SMILESCOC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)10-8-9(16)6-7-12(10)17-13-5-3-2-4-11(13)15/h2-8,17H,16H2,1H3
InChIKeyYNFRHXVIUSMLTA-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.94
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

ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
methyl 5-amino-2-(2,3,4-trifluoroanilino)benzoate
CID 61307392
methyl 5-amino-2-(2-chloroanilino)benzoate
CID 61305288
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
methyl 5-amino-2-[(2-methyl-3-pyridinyl)amino]benzoate
CID 79043332
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
methyl 5-amino-2-(2-bromo-4-chloroanilino)benzoate
CID 81274517
methyl 5-amino-2-(2-chloro-5-methylanilino)benzoate
CID 107637756
methyl 2-amino-3-(4-chloro-2-fluoroanilino)benzoate
CID 115545244
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-fluoroanilino)benzoate?
The IUPAC name of methyl 5-amino-2-(2-fluoroanilino)benzoate (CID 61306024) is methyl 5-amino-2-(2-fluoroanilino)benzoate.
What is the SMILES notation for methyl 5-amino-2-(2-fluoroanilino)benzoate?
The canonical SMILES for methyl 5-amino-2-(2-fluoroanilino)benzoate is COC(=O)c1cc(N)ccc1Nc1ccccc1F.
What is the InChIKey of methyl 5-amino-2-(2-fluoroanilino)benzoate?
The InChIKey is YNFRHXVIUSMLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14(18)10-8-9(16)6-7-12(10)17-13-5-3-2-4-11(13)15/h2-8,17H,16H2,1H3.
What are the key properties of methyl 5-amino-2-(2-fluoroanilino)benzoate?
methyl 5-amino-2-(2-fluoroanilino)benzoate has a molecular weight of 260.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-fluoroanilino)benzoate is sourced from PubChem (CID 61306024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).