N-(2-aminopropyl)-3-bromo-4-fluorobenzamide

C10H12BrFN2O — CID 107956111

IUPACN-(2-aminopropyl)-3-bromo-4-fluorobenzamide
SMILESCC(N)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O/c1-6(13)5-14-10(15)7-2-3-9(12)8(11)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyIRAVTMLVRNANQY-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.67
Rot. Bonds3

About N-(2-aminopropyl)-3-bromo-4-fluorobenzamide

N-(2-aminopropyl)-3-bromo-4-fluorobenzamide (PubChem CID 107956111) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-bromo-4-fluorobenzamide
PubChem CID107956111
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-(2-aminopropyl)-3-bromo-4-fluorobenzamide
SMILESCC(N)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O/c1-6(13)5-14-10(15)7-2-3-9(12)8(11)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyIRAVTMLVRNANQY-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-aminopropyl)-3-bromo-4-fluorobenzamide 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-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]-2-iodopropanoate
CID 107956905
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528184

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(2-aminopropyl)-3-bromo-4-fluorobenzamide (CID 107956111) is N-(2-aminopropyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(2-aminopropyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(2-aminopropyl)-3-bromo-4-fluorobenzamide is CC(N)CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(2-aminopropyl)-3-bromo-4-fluorobenzamide?
The InChIKey is IRAVTMLVRNANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(13)5-14-10(15)7-2-3-9(12)8(11)4-7/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-3-bromo-4-fluorobenzamide?
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide has a molecular weight of 275.12 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 107956111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).