2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid

C20H15F2NO2 — CID 68963266

IUPAC2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)O)c(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H15F2NO2/c1-12-10-15(22)5-9-17(12)13-2-8-18(20(24)25)19(11-13)23-16-6-3-14(21)4-7-16/h2-11,23H,1H3,(H,24,25)
InChIKeyDPWDKVJCIYCXAN-UHFFFAOYSA-N
MW339.34 g/mol
LogP5.38
Rot. Bonds4

About 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid

2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid (PubChem CID 68963266) has the molecular formula C20H15F2NO2 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid
PubChem CID68963266
Molecular FormulaC20H15F2NO2
Molecular Weight339.34 g/mol
Exact Mass339.11
IUPAC Name2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)O)c(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H15F2NO2/c1-12-10-15(22)5-9-17(12)13-2-8-18(20(24)25)19(11-13)23-16-6-3-14(21)4-7-16/h2-11,23H,1H3,(H,24,25)
InChIKeyDPWDKVJCIYCXAN-UHFFFAOYSA-N
XLogP5.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.34
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2-(4-fluoroanilino)benzoic acid
CID 68962853
2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]-4-fluorobenzoic acid
CID 44571285
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane
CID 143291749
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
2-(4-acetylanilino)-4-phenylbenzoic acid
CID 68960140
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate;tert-butyl 2-(4-fluoroanilino)-4-(4-hydroxyphenyl)benzoate;2-(4-fluoroanilino)-4-(4-hydroxyphenyl)benzoic acid
CID 160614339
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid?
The IUPAC name of 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid (CID 68963266) is 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid is Cc1cc(F)ccc1-c1ccc(C(=O)O)c(Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid?
The InChIKey is DPWDKVJCIYCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO2/c1-12-10-15(22)5-9-17(12)13-2-8-18(20(24)25)19(11-13)23-16-6-3-14(21)4-7-16/h2-11,23H,1H3,(H,24,25).
What are the key properties of 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid?
2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid has a molecular weight of 339.34 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid is sourced from PubChem (CID 68963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).