5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C14H19BrFN3O — CID 62815794

IUPAC5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CNC(=O)c2cc(N)c(F)cc2Br)C1
InChIInChI=1S/C14H19BrFN3O/c1-19-4-2-3-9(8-19)7-18-14(20)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20)
InChIKeyGHAOTZBWNOQARV-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.24
Rot. Bonds3

About 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide

5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 62815794) has the molecular formula C14H19BrFN3O and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID62815794
Molecular FormulaC14H19BrFN3O
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CNC(=O)c2cc(N)c(F)cc2Br)C1
InChIInChI=1S/C14H19BrFN3O/c1-19-4-2-3-9(8-19)7-18-14(20)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20)
InChIKeyGHAOTZBWNOQARV-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)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

2-bromo-4-chloro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 103765330
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 55178218
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
4-bromo-2,5-difluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107609339
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 62815794) is 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide is CN1CCCC(CNC(=O)c2cc(N)c(F)cc2Br)C1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is GHAOTZBWNOQARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O/c1-19-4-2-3-9(8-19)7-18-14(20)10-5-13(17)12(16)6-11(10)15/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 344.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 62815794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).