3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide

C13H15BrFNO — CID 106544356

IUPAC3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
SMILESCC(CNC(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-8(9-5-6-9)7-16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyTUCGYBPQTUTFKT-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide

3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide (PubChem CID 106544356) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
PubChem CID106544356
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
SMILESCC(CNC(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C13H15BrFNO/c1-8(9-5-6-9)7-16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyTUCGYBPQTUTFKT-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(2-cyclopropylpropyl)-2-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-chloro-2-cyclopropylethyl)-2-fluorobenzamide
CID 107956692
2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
CID 103853537
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide (CID 106544356) is 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide is CC(CNC(=O)c1cccc(Br)c1F)C1CC1.
What is the InChIKey of 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide?
The InChIKey is TUCGYBPQTUTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-8(9-5-6-9)7-16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide?
3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide is sourced from PubChem (CID 106544356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).