2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid

C15H13BrFNO2 — CID 63648624

IUPAC2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
SMILESCc1ccc(C(Nc2ccc(Br)cc2)C(=O)O)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-2-3-10(8-13(9)17)14(15(19)20)18-12-6-4-11(16)5-7-12/h2-8,14,18H,1H3,(H,19,20)
InChIKeyNMEMMIDNEYMNPE-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid

2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid (PubChem CID 63648624) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
PubChem CID63648624
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
SMILESCc1ccc(C(Nc2ccc(Br)cc2)C(=O)O)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-2-3-10(8-13(9)17)14(15(19)20)18-12-6-4-11(16)5-7-12/h2-8,14,18H,1H3,(H,19,20)
InChIKeyNMEMMIDNEYMNPE-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The IUPAC name of 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid (CID 63648624) is 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid is Cc1ccc(C(Nc2ccc(Br)cc2)C(=O)O)cc1F.
What is the InChIKey of 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
The InChIKey is NMEMMIDNEYMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-2-3-10(8-13(9)17)14(15(19)20)18-12-6-4-11(16)5-7-12/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid?
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid has a molecular weight of 338.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid is sourced from PubChem (CID 63648624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).