3-bromo-N-quinolin-5-ylbenzamide

C16H11BrN2O — CID 930554

IUPAC3-bromo-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20)
InChIKeyTYVLSBCFFLRBAH-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About 3-bromo-N-quinolin-5-ylbenzamide

3-bromo-N-quinolin-5-ylbenzamide (PubChem CID 930554) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-bromo-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-quinolin-5-ylbenzamide
PubChem CID930554
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name3-bromo-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20)
InChIKeyTYVLSBCFFLRBAH-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-quinolin-5-ylbenzamide 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 3-bromo-N-quinolin-5-ylbenzamide?
The IUPAC name of 3-bromo-N-quinolin-5-ylbenzamide (CID 930554) is 3-bromo-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3-bromo-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3-bromo-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-quinolin-5-ylbenzamide?
The InChIKey is TYVLSBCFFLRBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20).
What are the key properties of 3-bromo-N-quinolin-5-ylbenzamide?
3-bromo-N-quinolin-5-ylbenzamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 930554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).