N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide

C15H20BrNO — CID 106366301

IUPACN-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C15H20BrNO/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(14)10-16/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyONGQYYSAACVIOU-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide

N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide (PubChem CID 106366301) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
PubChem CID106366301
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C15H20BrNO/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(14)10-16/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyONGQYYSAACVIOU-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide (CID 106366301) is N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2CCCC2CBr)c1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide?
The InChIKey is ONGQYYSAACVIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-4-2-5-12(8-11)9-15(18)17-14-7-3-6-13(14)10-16/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide?
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide has a molecular weight of 310.23 g/mol, XLogP of 3.22, 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]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 106366301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).