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

C16H16BrNO3 — CID 62131190

IUPAC2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Br)C(=O)O)cc1C
InChIInChI=1S/C16H16BrNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyYWDZDFFKNIDJKA-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.00
Rot. Bonds5

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

2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid (PubChem CID 62131190) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
PubChem CID62131190
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Br)C(=O)O)cc1C
InChIInChI=1S/C16H16BrNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyYWDZDFFKNIDJKA-UHFFFAOYSA-N
XLogP4.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The IUPAC name of 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid (CID 62131190) is 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid is COc1ccc(C(Nc2ccccc2Br)C(=O)O)cc1C.
What is the InChIKey of 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The InChIKey is YWDZDFFKNIDJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid has a molecular weight of 350.21 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 62131190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).