3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide

C18H21BrN2O2 — CID 119429629

IUPAC3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-20-10-5-11-21-18(22)14-7-4-8-16(12-14)23-13-15-6-2-3-9-17(15)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyIRSVGODJJLYGIJ-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.37
Rot. Bonds8

About 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide

3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119429629) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
PubChem CID119429629
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-20-10-5-11-21-18(22)14-7-4-8-16(12-14)23-13-15-6-2-3-9-17(15)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyIRSVGODJJLYGIJ-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]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-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide (CID 119429629) is 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is IRSVGODJJLYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-20-10-5-11-21-18(22)14-7-4-8-16(12-14)23-13-15-6-2-3-9-17(15)19/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22).
What are the key properties of 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide?
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 377.28 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119429629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).