2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid

C16H16BrNO2 — CID 105401888

IUPAC2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyQYOUHQBNLRMLGY-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid

2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid (PubChem CID 105401888) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
PubChem CID105401888
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyQYOUHQBNLRMLGY-UHFFFAOYSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
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-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131190
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid (CID 105401888) is 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid is Cc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The InChIKey is QYOUHQBNLRMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid?
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid has a molecular weight of 334.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 105401888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).