4-(2-fluoroanilino)benzoic acid

C13H10FNO2 — CID 62231206

IUPAC4-(2-fluoroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h1-8,15H,(H,16,17)
InChIKeyIMTTUFVKDZKSPG-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.27
Rot. Bonds3

About 4-(2-fluoroanilino)benzoic acid

4-(2-fluoroanilino)benzoic acid (PubChem CID 62231206) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-(2-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name4-(2-fluoroanilino)benzoic acid
PubChem CID62231206
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-(2-fluoroanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2ccccc2F)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h1-8,15H,(H,16,17)
InChIKeyIMTTUFVKDZKSPG-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-difluoroanilino)benzoic acid
CID 62230863
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
2-fluoro-N-phenylaniline;trifluoromethanesulfonic acid
CID 171929933
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
4-N-(2-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 117027231
2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
4-[3-(2-fluoroanilino)-1H-indol-2-yl]benzoic acid
CID 150670028
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)benzoic acid?
The IUPAC name of 4-(2-fluoroanilino)benzoic acid (CID 62231206) is 4-(2-fluoroanilino)benzoic acid.
What is the SMILES notation for 4-(2-fluoroanilino)benzoic acid?
The canonical SMILES for 4-(2-fluoroanilino)benzoic acid is O=C(O)c1ccc(Nc2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluoroanilino)benzoic acid?
The InChIKey is IMTTUFVKDZKSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-3-1-2-4-12(11)15-10-7-5-9(6-8-10)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 4-(2-fluoroanilino)benzoic acid?
4-(2-fluoroanilino)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)benzoic acid is sourced from PubChem (CID 62231206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).