4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide

C12H16BrFN2O — CID 62659198

IUPAC4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-5-15-6-7-16-12(17)10-4-3-9(13)8-11(10)14/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)
InChIKeyGRQNQBNLFPRVHJ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.32
Rot. Bonds6

About 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide

4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide (PubChem CID 62659198) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
PubChem CID62659198
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-2-5-15-6-7-16-12(17)10-4-3-9(13)8-11(10)14/h3-4,8,15H,2,5-7H2,1H3,(H,16,17)
InChIKeyGRQNQBNLFPRVHJ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]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

4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide (CID 62659198) is 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is GRQNQBNLFPRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-5-15-6-7-16-12(17)10-4-3-9(13)8-11(10)14/h3-4,8,15H,2,5-7H2,1H3,(H,16,17).
What are the key properties of 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide?
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 303.17 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 62659198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).