2-(2-bromo-4-methylanilino)-2-phenylacetic acid

C15H14BrNO2 — CID 103231663

IUPAC2-(2-bromo-4-methylanilino)-2-phenylacetic acid
SMILESCc1ccc(NC(C(=O)O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-10-7-8-13(12(16)9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeyMDWVROODZNTBCK-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-bromo-4-methylanilino)-2-phenylacetic acid

2-(2-bromo-4-methylanilino)-2-phenylacetic acid (PubChem CID 103231663) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-2-phenylacetic acid
PubChem CID103231663
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(2-bromo-4-methylanilino)-2-phenylacetic acid
SMILESCc1ccc(NC(C(=O)O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-10-7-8-13(12(16)9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeyMDWVROODZNTBCK-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

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Related Compounds

2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
CID 103236812
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
(2R)-2-(2-bromo-4-methylanilino)pentanoic acid
CID 40788533
2-(2-bromo-4-methylanilino)-4-methylpentanoic acid
CID 82135184
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
3-amino-N-(2-bromo-4-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877034
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2-bromo-4-methylanilino)-2-phenylacetic acid (CID 103231663) is 2-(2-bromo-4-methylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-2-phenylacetic acid is Cc1ccc(NC(C(=O)O)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-2-phenylacetic acid?
The InChIKey is MDWVROODZNTBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-7-8-13(12(16)9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methylanilino)-2-phenylacetic acid?
2-(2-bromo-4-methylanilino)-2-phenylacetic 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-(2-bromo-4-methylanilino)-2-phenylacetic acid is sourced from PubChem (CID 103231663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).