5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide

C12H22BrNO — CID 107910816

IUPAC5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
SMILESCC1CCCC1CNC(=O)CCCCBr
InChIInChI=1S/C12H22BrNO/c1-10-5-4-6-11(10)9-14-12(15)7-2-3-8-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyMCNGVWNCHIMILF-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.10
Rot. Bonds6

About 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide

5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide (PubChem CID 107910816) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
PubChem CID107910816
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
SMILESCC1CCCC1CNC(=O)CCCCBr
InChIInChI=1S/C12H22BrNO/c1-10-5-4-6-11(10)9-14-12(15)7-2-3-8-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyMCNGVWNCHIMILF-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide 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-methylcyclopentyl)methyl]propanamide
CID 107417690
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
(2-methylcyclopentyl)methylurea
CID 107417745
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
2-(azetidin-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418381
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 107910275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide (CID 107910816) is 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide is CC1CCCC1CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide?
The InChIKey is MCNGVWNCHIMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10-5-4-6-11(10)9-14-12(15)7-2-3-8-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide?
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide has a molecular weight of 276.22 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide is sourced from PubChem (CID 107910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).