2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide

C9H16BrNO — CID 107412345

IUPAC2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)CBr)C1
InChIInChI=1S/C9H16BrNO/c1-7-2-3-8(4-7)6-11-9(12)5-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRPFMCWYACKORGM-UHFFFAOYSA-N
MW234.14 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide

2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide (PubChem CID 107412345) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
PubChem CID107412345
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)CBr)C1
InChIInChI=1S/C9H16BrNO/c1-7-2-3-8(4-7)6-11-9(12)5-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRPFMCWYACKORGM-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide 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-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
(3-methylcyclopentyl)methylurea
CID 20542807
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
CID 107413266
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107415477
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
CID 107411052
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide (CID 107412345) is 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide is CC1CCC(CNC(=O)CBr)C1.
What is the InChIKey of 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide?
The InChIKey is RPFMCWYACKORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7-2-3-8(4-7)6-11-9(12)5-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide?
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide has a molecular weight of 234.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 107412345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).