2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid

C16H15F2NO2 — CID 79044455

IUPAC2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15F2NO2/c1-9-5-12(17)8-13(6-9)19-15(16(20)21)11-4-3-10(2)14(18)7-11/h3-8,15,19H,1-2H3,(H,20,21)
InChIKeyQTYXMGODICGTEE-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid

2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid (PubChem CID 79044455) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
PubChem CID79044455
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
SMILESCc1cc(F)cc(NC(C(=O)O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15F2NO2/c1-9-5-12(17)8-13(6-9)19-15(16(20)21)11-4-3-10(2)14(18)7-11/h3-8,15,19H,1-2H3,(H,20,21)
InChIKeyQTYXMGODICGTEE-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044779
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid (CID 79044455) is 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid is Cc1cc(F)cc(NC(C(=O)O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The InChIKey is QTYXMGODICGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-9-5-12(17)8-13(6-9)19-15(16(20)21)11-4-3-10(2)14(18)7-11/h3-8,15,19H,1-2H3,(H,20,21).
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid has a molecular weight of 291.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid is sourced from PubChem (CID 79044455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).