2-(benzhydrylamino)-5-fluorobenzoic acid

C20H16FNO2 — CID 71762912

IUPAC2-(benzhydrylamino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16FNO2/c21-16-11-12-18(17(13-16)20(23)24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,(H,23,24)
InChIKeyADXBMAAKPIVEFX-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.73
Rot. Bonds5

About 2-(benzhydrylamino)-5-fluorobenzoic acid

2-(benzhydrylamino)-5-fluorobenzoic acid (PubChem CID 71762912) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(benzhydrylamino)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(benzhydrylamino)-5-fluorobenzoic acid
PubChem CID71762912
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name2-(benzhydrylamino)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16FNO2/c21-16-11-12-18(17(13-16)20(23)24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,(H,23,24)
InChIKeyADXBMAAKPIVEFX-UHFFFAOYSA-N
XLogP4.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82096621
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
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5-fluoro-2-(2-fluoroanilino)benzoic acid
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N-benzhydryl-4-fluoro-2-nitroaniline
CID 146162956
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2-(3,5-difluoroanilino)-5-fluorobenzoic acid
CID 82535820
5-fluoro-2-(quinolin-3-ylamino)benzoic acid
CID 82535805
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-5-fluorobenzoic acid?
The IUPAC name of 2-(benzhydrylamino)-5-fluorobenzoic acid (CID 71762912) is 2-(benzhydrylamino)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(benzhydrylamino)-5-fluorobenzoic acid?
The canonical SMILES for 2-(benzhydrylamino)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-5-fluorobenzoic acid?
The InChIKey is ADXBMAAKPIVEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-16-11-12-18(17(13-16)20(23)24)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H,(H,23,24).
What are the key properties of 2-(benzhydrylamino)-5-fluorobenzoic acid?
2-(benzhydrylamino)-5-fluorobenzoic acid has a molecular weight of 321.35 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-5-fluorobenzoic acid is sourced from PubChem (CID 71762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).