N-benzhydryl-4-bromoaniline

C19H16BrN — CID 28543964

IUPACN-benzhydryl-4-bromoaniline
SMILESBrc1ccc(NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16BrN/c20-17-11-13-18(14-12-17)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
InChIKeyCZXLHZDAMGSAPH-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.65
Rot. Bonds4

About N-benzhydryl-4-bromoaniline

N-benzhydryl-4-bromoaniline (PubChem CID 28543964) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is N-benzhydryl-4-bromoaniline.

Molecular Properties

Compound NameN-benzhydryl-4-bromoaniline
PubChem CID28543964
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC NameN-benzhydryl-4-bromoaniline
SMILESBrc1ccc(NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16BrN/c20-17-11-13-18(14-12-17)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
InChIKeyCZXLHZDAMGSAPH-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzhydryl-4-bromoaniline 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 N-benzhydryl-4-bromoaniline?
The IUPAC name of N-benzhydryl-4-bromoaniline (CID 28543964) is N-benzhydryl-4-bromoaniline.
What is the SMILES notation for N-benzhydryl-4-bromoaniline?
The canonical SMILES for N-benzhydryl-4-bromoaniline is Brc1ccc(NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-bromoaniline?
The InChIKey is CZXLHZDAMGSAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN/c20-17-11-13-18(14-12-17)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H.
What are the key properties of N-benzhydryl-4-bromoaniline?
N-benzhydryl-4-bromoaniline has a molecular weight of 338.25 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-bromoaniline is sourced from PubChem (CID 28543964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).