2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid

C20H15F2NO3 — CID 118623141

IUPAC2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)O)c1N
InChIInChI=1S/C20H15F2NO3/c1-26-16-10-15(11-2-6-13(21)7-3-11)17(18(19(16)23)20(24)25)12-4-8-14(22)9-5-12/h2-10H,23H2,1H3,(H,24,25)
InChIKeyOBLZPEVDXZIODB-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.59
Rot. Bonds4

About 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid

2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid (PubChem CID 118623141) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid
PubChem CID118623141
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)O)c1N
InChIInChI=1S/C20H15F2NO3/c1-26-16-10-15(11-2-6-13(21)7-3-11)17(18(19(16)23)20(24)25)12-4-8-14(22)9-5-12/h2-10H,23H2,1H3,(H,24,25)
InChIKeyOBLZPEVDXZIODB-UHFFFAOYSA-N
XLogP4.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid?
The IUPAC name of 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid (CID 118623141) is 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid.
What is the SMILES notation for 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid?
The canonical SMILES for 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid is COc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c(C(=O)O)c1N.
What is the InChIKey of 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid?
The InChIKey is OBLZPEVDXZIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c1-26-16-10-15(11-2-6-13(21)7-3-11)17(18(19(16)23)20(24)25)12-4-8-14(22)9-5-12/h2-10H,23H2,1H3,(H,24,25).
What are the key properties of 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid?
2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid has a molecular weight of 355.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-bis(4-fluorophenyl)-3-methoxybenzoic acid is sourced from PubChem (CID 118623141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).