N-benzyl-4-bromobenzamide

C14H12BrNO — CID 781117

IUPACN-benzyl-4-bromobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyRLXPLHLLCIBNAN-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.38
Rot. Bonds3

About N-benzyl-4-bromobenzamide

N-benzyl-4-bromobenzamide (PubChem CID 781117) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is N-benzyl-4-bromobenzamide.

Molecular Properties

Compound NameN-benzyl-4-bromobenzamide
PubChem CID781117
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC NameN-benzyl-4-bromobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyRLXPLHLLCIBNAN-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-bromobenzamide 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-benzyl-4-bromobenzamide?
The IUPAC name of N-benzyl-4-bromobenzamide (CID 781117) is N-benzyl-4-bromobenzamide.
What is the SMILES notation for N-benzyl-4-bromobenzamide?
The canonical SMILES for N-benzyl-4-bromobenzamide is O=C(NCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-4-bromobenzamide?
The InChIKey is RLXPLHLLCIBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of N-benzyl-4-bromobenzamide?
N-benzyl-4-bromobenzamide has a molecular weight of 290.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromobenzamide is sourced from PubChem (CID 781117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).