Methyl 2-(4-bromoanilino)-2-phenylacetate

C15H14BrNO2 — CID 60647728

IUPACmethyl 2-(4-bromoanilino)-2-phenylacetate
SMILESCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br
InChIInChI=1S/C15H14BrNO2/c1-19-15(18)14(11-5-3-2-4-6-11)17-13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyGLJFXBJCTUTWNY-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.20
Rot. Bonds5

About Methyl 2-(4-bromoanilino)-2-phenylacetate

Methyl 2-(4-bromoanilino)-2-phenylacetate (PubChem CID 60647728) has the molecular formula C15H14BrNO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is methyl 2-(4-bromoanilino)-2-phenylacetate.

Molecular Properties

Compound NameMethyl 2-(4-bromoanilino)-2-phenylacetate
PubChem CID60647728
Molecular FormulaC15H14BrNO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Namemethyl 2-(4-bromoanilino)-2-phenylacetate
SMILESCOC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br
InChIInChI=1S/C15H14BrNO2/c1-19-15(18)14(11-5-3-2-4-6-11)17-13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyGLJFXBJCTUTWNY-UHFFFAOYSA-N
XLogP4.20
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity284

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(4-bromoanilino)-2-phenylacetate?
The IUPAC name of Methyl 2-(4-bromoanilino)-2-phenylacetate (CID 60647728) is methyl 2-(4-bromoanilino)-2-phenylacetate.
What is the SMILES notation for Methyl 2-(4-bromoanilino)-2-phenylacetate?
The canonical SMILES for Methyl 2-(4-bromoanilino)-2-phenylacetate is COC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br.
What is the InChIKey of Methyl 2-(4-bromoanilino)-2-phenylacetate?
The InChIKey is GLJFXBJCTUTWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-15(18)14(11-5-3-2-4-6-11)17-13-9-7-12(16)8-10-13/h2-10,14,17H,1H3.
What are the key properties of Methyl 2-(4-bromoanilino)-2-phenylacetate?
Methyl 2-(4-bromoanilino)-2-phenylacetate has a molecular weight of 320.18 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(4-bromoanilino)-2-phenylacetate is sourced from PubChem (CID 60647728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).