4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide

C13H17BrN2O — CID 115267378

IUPAC4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
SMILESCNCC1(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-8-13(6-7-13)9-16-12(17)10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeyBQMUDABFXPNPJO-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.18
Rot. Bonds5

About 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide

4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide (PubChem CID 115267378) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
PubChem CID115267378
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
SMILESCNCC1(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-8-13(6-7-13)9-16-12(17)10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeyBQMUDABFXPNPJO-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]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

5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 115271454
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
5-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 115271474
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide (CID 115267378) is 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide is CNCC1(CNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide?
The InChIKey is BQMUDABFXPNPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-15-8-13(6-7-13)9-16-12(17)10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide?
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 115267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).