4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide

C15H15BrN2O2 — CID 86781630

IUPAC4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
SMILESO=C(NCCCc1ccccn1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-7-6-11(10-14(13)19)15(20)18-9-3-5-12-4-1-2-8-17-12/h1-2,4,6-8,10,19H,3,5,9H2,(H,18,20)
InChIKeyRKRPCMMZWZZNIO-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.91
Rot. Bonds5

About 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide

4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide (PubChem CID 86781630) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
PubChem CID86781630
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
SMILESO=C(NCCCc1ccccn1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-7-6-11(10-14(13)19)15(20)18-9-3-5-12-4-1-2-8-17-12/h1-2,4,6-8,10,19H,3,5,9H2,(H,18,20)
InChIKeyRKRPCMMZWZZNIO-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
4-(furan-2-yl)-N-(3-pyridin-2-ylpropyl)benzamide
CID 91783448
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
CID 60615561
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide (CID 86781630) is 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide is O=C(NCCCc1ccccn1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide?
The InChIKey is RKRPCMMZWZZNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-7-6-11(10-14(13)19)15(20)18-9-3-5-12-4-1-2-8-17-12/h1-2,4,6-8,10,19H,3,5,9H2,(H,18,20).
What are the key properties of 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide?
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide has a molecular weight of 335.20 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide is sourced from PubChem (CID 86781630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).