3-(4-fluoroanilino)phthalic acid

C14H10FNO4 — CID 150630608

IUPAC3-(4-fluoroanilino)phthalic acid
SMILESO=C(O)c1cccc(Nc2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C14H10FNO4/c15-8-4-6-9(7-5-8)16-11-3-1-2-10(13(17)18)12(11)14(19)20/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyIXUPOJMRAPFKFG-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-fluoroanilino)phthalic acid

3-(4-fluoroanilino)phthalic acid (PubChem CID 150630608) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-(4-fluoroanilino)phthalic acid.

Molecular Properties

Compound Name3-(4-fluoroanilino)phthalic acid
PubChem CID150630608
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-(4-fluoroanilino)phthalic acid
SMILESO=C(O)c1cccc(Nc2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C14H10FNO4/c15-8-4-6-9(7-5-8)16-11-3-1-2-10(13(17)18)12(11)14(19)20/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyIXUPOJMRAPFKFG-UHFFFAOYSA-N
XLogP2.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
2-(4-fluoroanilino)-3-methylbenzoic acid
CID 174940932
2-anilino-6-hydroxybenzoic acid
CID 154369183
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-amino-3-(2-bromo-5-fluoroanilino)benzoic acid
CID 107637907
2-amino-6-anilinobenzoic acid
CID 67684436
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
2-amino-3-(4-methylsulfanylanilino)benzoic acid
CID 113332415
4-[[[2-(4-fluoroanilino)benzoyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
CID 166389044

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)phthalic acid?
The IUPAC name of 3-(4-fluoroanilino)phthalic acid (CID 150630608) is 3-(4-fluoroanilino)phthalic acid.
What is the SMILES notation for 3-(4-fluoroanilino)phthalic acid?
The canonical SMILES for 3-(4-fluoroanilino)phthalic acid is O=C(O)c1cccc(Nc2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-fluoroanilino)phthalic acid?
The InChIKey is IXUPOJMRAPFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-8-4-6-9(7-5-8)16-11-3-1-2-10(13(17)18)12(11)14(19)20/h1-7,16H,(H,17,18)(H,19,20).
What are the key properties of 3-(4-fluoroanilino)phthalic acid?
3-(4-fluoroanilino)phthalic acid has a molecular weight of 275.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)phthalic acid is sourced from PubChem (CID 150630608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).