3-fluoro-4-(4-methylanilino)benzoic acid

C14H12FNO2 — CID 82294597

IUPAC3-fluoro-4-(4-methylanilino)benzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C14H12FNO2/c1-9-2-5-11(6-3-9)16-13-7-4-10(14(17)18)8-12(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyRAEVGGHXLNKGNE-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.58
Rot. Bonds3

About 3-fluoro-4-(4-methylanilino)benzoic acid

3-fluoro-4-(4-methylanilino)benzoic acid (PubChem CID 82294597) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylanilino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(4-methylanilino)benzoic acid
PubChem CID82294597
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-fluoro-4-(4-methylanilino)benzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2F)cc1
InChIInChI=1S/C14H12FNO2/c1-9-2-5-11(6-3-9)16-13-7-4-10(14(17)18)8-12(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyRAEVGGHXLNKGNE-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 55108022
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-(4-methylanilino)-4-nitrobenzoic acid
CID 82784566
4-(3-chloro-4-cyanoanilino)-3-fluorobenzoic acid
CID 63188308
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-(2-fluoroanilino)benzoic acid
CID 62231206
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylanilino)benzoic acid?
The IUPAC name of 3-fluoro-4-(4-methylanilino)benzoic acid (CID 82294597) is 3-fluoro-4-(4-methylanilino)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(4-methylanilino)benzoic acid?
The canonical SMILES for 3-fluoro-4-(4-methylanilino)benzoic acid is Cc1ccc(Nc2ccc(C(=O)O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-methylanilino)benzoic acid?
The InChIKey is RAEVGGHXLNKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-2-5-11(6-3-9)16-13-7-4-10(14(17)18)8-12(13)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-(4-methylanilino)benzoic acid?
3-fluoro-4-(4-methylanilino)benzoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylanilino)benzoic acid is sourced from PubChem (CID 82294597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).