2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide

C11H20BrNO2 — CID 65105226

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H20BrNO2/c1-8(2)9(12)10(14)13-7-11(15)5-3-4-6-11/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGUZBCVUUMCZNGH-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.83
Rot. Bonds4

About 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide

2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide (PubChem CID 65105226) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide
PubChem CID65105226
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C11H20BrNO2/c1-8(2)9(12)10(14)13-7-11(15)5-3-4-6-11/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGUZBCVUUMCZNGH-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide (CID 65105226) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide is CC(C)C(Br)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The InChIKey is GUZBCVUUMCZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-8(2)9(12)10(14)13-7-11(15)5-3-4-6-11/h8-9,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide has a molecular weight of 278.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65105226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).