2-(N-bromoanilino)-2-phenylacetic acid

C14H12BrNO2 — CID 102137930

IUPAC2-(N-bromoanilino)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N(Br)c1ccccc1
InChIInChI=1S/C14H12BrNO2/c15-16(12-9-5-2-6-10-12)13(14(17)18)11-7-3-1-4-8-11/h1-10,13H,(H,17,18)
InChIKeyWIBUUZMNXTUGTO-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.63
Rot. Bonds4

About 2-(N-bromoanilino)-2-phenylacetic acid

2-(N-bromoanilino)-2-phenylacetic acid (PubChem CID 102137930) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(N-bromoanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(N-bromoanilino)-2-phenylacetic acid
PubChem CID102137930
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(N-bromoanilino)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N(Br)c1ccccc1
InChIInChI=1S/C14H12BrNO2/c15-16(12-9-5-2-6-10-12)13(14(17)18)11-7-3-1-4-8-11/h1-10,13H,(H,17,18)
InChIKeyWIBUUZMNXTUGTO-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-(N-bromoanilino)-2-phenylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-bromoanilino)-2-phenylacetic acid?
The IUPAC name of 2-(N-bromoanilino)-2-phenylacetic acid (CID 102137930) is 2-(N-bromoanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(N-bromoanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(N-bromoanilino)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N(Br)c1ccccc1.
What is the InChIKey of 2-(N-bromoanilino)-2-phenylacetic acid?
The InChIKey is WIBUUZMNXTUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-16(12-9-5-2-6-10-12)13(14(17)18)11-7-3-1-4-8-11/h1-10,13H,(H,17,18).
What are the key properties of 2-(N-bromoanilino)-2-phenylacetic acid?
2-(N-bromoanilino)-2-phenylacetic acid has a molecular weight of 306.16 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-bromoanilino)-2-phenylacetic acid is sourced from PubChem (CID 102137930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).