N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide

C16H23BrN2O — CID 54035744

IUPACN-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(Br)CC1N(C)C
InChIInChI=1S/C16H23BrN2O/c1-4-16(20)19(13-8-6-5-7-9-13)15-11-12(17)10-14(15)18(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyLIURIAAYXSHINV-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.29
Rot. Bonds4

About N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide

N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide (PubChem CID 54035744) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
PubChem CID54035744
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(Br)CC1N(C)C
InChIInChI=1S/C16H23BrN2O/c1-4-16(20)19(13-8-6-5-7-9-13)15-11-12(17)10-14(15)18(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3
InChIKeyLIURIAAYXSHINV-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The IUPAC name of N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide (CID 54035744) is N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The canonical SMILES for N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC(Br)CC1N(C)C.
What is the InChIKey of N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
The InChIKey is LIURIAAYXSHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-4-16(20)19(13-8-6-5-7-9-13)15-11-12(17)10-14(15)18(2)3/h5-9,12,14-15H,4,10-11H2,1-3H3.
What are the key properties of N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide?
N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(dimethylamino)cyclopentyl]-N-phenylpropanamide is sourced from PubChem (CID 54035744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).