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

C15H14BrNO2 — CID 54890917

IUPAC2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C15H14BrNO2/c1-10-5-2-3-8-13(10)14(15(18)19)17-12-7-4-6-11(16)9-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyVMVHRCCRGGIANX-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.00
Rot. Bonds4

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

2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid (PubChem CID 54890917) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
PubChem CID54890917
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C15H14BrNO2/c1-10-5-2-3-8-13(10)14(15(18)19)17-12-7-4-6-11(16)9-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyVMVHRCCRGGIANX-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
CID 60992710
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid (CID 54890917) is 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(Nc1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid?
The InChIKey is VMVHRCCRGGIANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-5-2-3-8-13(10)14(15(18)19)17-12-7-4-6-11(16)9-12/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid?
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid has a molecular weight of 320.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 54890917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).