2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide

C10H18BrNO2 — CID 106127935

IUPAC2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H18BrNO2/c1-10(2,11)9(14)12-6-7-3-4-8(13)5-7/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyZLXCUFQYXUSJJS-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.44
Rot. Bonds3

About 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide

2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide (PubChem CID 106127935) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
PubChem CID106127935
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H18BrNO2/c1-10(2,11)9(14)12-6-7-3-4-8(13)5-7/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyZLXCUFQYXUSJJS-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
CID 114328747
1-(2-tert-butylsulfanylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99792927
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide (CID 106127935) is 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide?
The InChIKey is ZLXCUFQYXUSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-10(2,11)9(14)12-6-7-3-4-8(13)5-7/h7-8,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide?
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide has a molecular weight of 264.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 106127935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).