2-(4-bromoanilino)-1-phenylethanone

C14H12BrNO — CID 804442

IUPAC2-(4-bromoanilino)-1-phenylethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyLPKCHKLRDTZTHS-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-bromoanilino)-1-phenylethanone

2-(4-bromoanilino)-1-phenylethanone (PubChem CID 804442) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-phenylethanone
PubChem CID804442
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-(4-bromoanilino)-1-phenylethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyLPKCHKLRDTZTHS-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromoanilino)-1-phenylethanone 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-(4-bromoanilino)-1-phenylethanone?
The IUPAC name of 2-(4-bromoanilino)-1-phenylethanone (CID 804442) is 2-(4-bromoanilino)-1-phenylethanone.
What is the SMILES notation for 2-(4-bromoanilino)-1-phenylethanone?
The canonical SMILES for 2-(4-bromoanilino)-1-phenylethanone is O=C(CNc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromoanilino)-1-phenylethanone?
The InChIKey is LPKCHKLRDTZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2.
What are the key properties of 2-(4-bromoanilino)-1-phenylethanone?
2-(4-bromoanilino)-1-phenylethanone has a molecular weight of 290.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-phenylethanone is sourced from PubChem (CID 804442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).