3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C20H20BrN3O2 — CID 19332260

IUPAC3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C20H20BrN3O2/c21-18-6-8-19(9-7-18)26-15-16-4-1-5-17(14-16)20(25)22-10-2-12-24-13-3-11-23-24/h1,3-9,11,13-14H,2,10,12,15H2,(H,22,25)
InChIKeyATIKFDZYEAGXCF-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.04
Rot. Bonds8

About 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide

3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 19332260) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID19332260
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C20H20BrN3O2/c21-18-6-8-19(9-7-18)26-15-16-4-1-5-17(14-16)20(25)22-10-2-12-24-13-3-11-23-24/h1,3-9,11,13-14H,2,10,12,15H2,(H,22,25)
InChIKeyATIKFDZYEAGXCF-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-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-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
CID 19283361
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327775
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19282948
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
3-[(2-bromophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323719

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 19332260) is 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1cccc(COc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is ATIKFDZYEAGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c21-18-6-8-19(9-7-18)26-15-16-4-1-5-17(14-16)20(25)22-10-2-12-24-13-3-11-23-24/h1,3-9,11,13-14H,2,10,12,15H2,(H,22,25).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 414.30 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 19332260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).