2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid

C17H18FNO2 — CID 79044779

IUPAC2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCCc1ccccc1C(Nc1cc(C)cc(F)c1)C(=O)O
InChIInChI=1S/C17H18FNO2/c1-3-12-6-4-5-7-15(12)16(17(20)21)19-14-9-11(2)8-13(18)10-14/h4-10,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyPLJICEYBYOVLIU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid

2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid (PubChem CID 79044779) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
PubChem CID79044779
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCCc1ccccc1C(Nc1cc(C)cc(F)c1)C(=O)O
InChIInChI=1S/C17H18FNO2/c1-3-12-6-4-5-7-15(12)16(17(20)21)19-14-9-11(2)8-13(18)10-14/h4-10,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyPLJICEYBYOVLIU-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
2-(3-fluoro-5-methylanilino)-N-propylpropanamide
CID 79055254
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The IUPAC name of 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid (CID 79044779) is 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The canonical SMILES for 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid is CCc1ccccc1C(Nc1cc(C)cc(F)c1)C(=O)O.
What is the InChIKey of 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The InChIKey is PLJICEYBYOVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-12-6-4-5-7-15(12)16(17(20)21)19-14-9-11(2)8-13(18)10-14/h4-10,16,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid has a molecular weight of 287.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid is sourced from PubChem (CID 79044779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).