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

C17H18FNO2 — CID 79044647

IUPAC2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCCc1ccc(C(Nc2cc(C)cc(F)c2)C(=O)O)cc1
InChIInChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21)19-15-9-11(2)8-14(18)10-15/h4-10,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyZZDJXFLKLMDXQX-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.93
Rot. Bonds5

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

2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid (PubChem CID 79044647) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
PubChem CID79044647
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
SMILESCCc1ccc(C(Nc2cc(C)cc(F)c2)C(=O)O)cc1
InChIInChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21)19-15-9-11(2)8-14(18)10-15/h4-10,16,19H,3H2,1-2H3,(H,20,21)
InChIKeyZZDJXFLKLMDXQX-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-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(2-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044779
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid (CID 79044647) is 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid is CCc1ccc(C(Nc2cc(C)cc(F)c2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
The InChIKey is ZZDJXFLKLMDXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21)19-15-9-11(2)8-14(18)10-15/h4-10,16,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid?
2-(4-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-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid is sourced from PubChem (CID 79044647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).