2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid

C20H15F2NO2 — CID 102233570

IUPAC2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid
SMILESNc1ccc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C20H15F2NO2/c21-15-6-1-12(2-7-15)19(13-3-8-16(22)9-4-13)14-5-10-18(23)17(11-14)20(24)25/h1-11,19H,23H2,(H,24,25)
InChIKeyBLGCWBKGAZLCBX-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.43
Rot. Bonds4

About 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid

2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid (PubChem CID 102233570) has the molecular formula C20H15F2NO2 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid
PubChem CID102233570
Molecular FormulaC20H15F2NO2
Molecular Weight339.34 g/mol
Exact Mass339.11
IUPAC Name2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid
SMILESNc1ccc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C20H15F2NO2/c21-15-6-1-12(2-7-15)19(13-3-8-16(22)9-4-13)14-5-10-18(23)17(11-14)20(24)25/h1-11,19H,23H2,(H,24,25)
InChIKeyBLGCWBKGAZLCBX-UHFFFAOYSA-N
XLogP4.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881708
zinc bis(4-benzhydryl-2-carboxyphenolate)
CID 70595739
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
2-amino-5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 68729485
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
4-benzhydrylbenzene-1,2-diamine
CID 154281140
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid?
The IUPAC name of 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid (CID 102233570) is 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid.
What is the SMILES notation for 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid?
The canonical SMILES for 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid is Nc1ccc(C(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid?
The InChIKey is BLGCWBKGAZLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO2/c21-15-6-1-12(2-7-15)19(13-3-8-16(22)9-4-13)14-5-10-18(23)17(11-14)20(24)25/h1-11,19H,23H2,(H,24,25).
What are the key properties of 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid?
2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid has a molecular weight of 339.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid is sourced from PubChem (CID 102233570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).