2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid

C17H18BrNO2 — CID 60992830

IUPAC2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2Br)C(=O)O)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-9-13(12(2)10-11)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21)
InChIKeySFAYSTVWPGHGKM-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.48
Rot. Bonds4

About 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid

2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid (PubChem CID 60992830) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
PubChem CID60992830
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2Br)C(=O)O)c(C)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-9-13(12(2)10-11)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21)
InChIKeySFAYSTVWPGHGKM-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic 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-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
CID 60991291
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
2-(cycloheptylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60997722
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid (CID 60992830) is 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid is Cc1ccc(C(C)(Nc2ccccc2Br)C(=O)O)c(C)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid?
The InChIKey is SFAYSTVWPGHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-8-9-13(12(2)10-11)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid?
2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid has a molecular weight of 348.24 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 60992830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).