N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide

C16H22BrNO — CID 114179456

IUPACN-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCCC2CBr)cc1
InChIInChI=1S/C16H22BrNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyCPMFFLOYDNXXPV-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.10
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide

N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide (PubChem CID 114179456) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
PubChem CID114179456
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCCC2CBr)cc1
InChIInChI=1S/C16H22BrNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyCPMFFLOYDNXXPV-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide 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

N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide (CID 114179456) is N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCCC2CBr)cc1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The InChIKey is CPMFFLOYDNXXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide?
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide has a molecular weight of 324.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 114179456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).