N-(2-bromoethyl)-4-methylpentanamide

C8H16BrNO — CID 43133390

IUPACN-(2-bromoethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCBr
InChIInChI=1S/C8H16BrNO/c1-7(2)3-4-8(11)10-6-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZRCKUKCONWIGME-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.93
Rot. Bonds5

About N-(2-bromoethyl)-4-methylpentanamide

N-(2-bromoethyl)-4-methylpentanamide (PubChem CID 43133390) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-methylpentanamide
PubChem CID43133390
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC NameN-(2-bromoethyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCBr
InChIInChI=1S/C8H16BrNO/c1-7(2)3-4-8(11)10-6-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZRCKUKCONWIGME-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2-bromoethyl)-4-methylpentanamide?
The IUPAC name of N-(2-bromoethyl)-4-methylpentanamide (CID 43133390) is N-(2-bromoethyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-bromoethyl)-4-methylpentanamide?
The canonical SMILES for N-(2-bromoethyl)-4-methylpentanamide is CC(C)CCC(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-4-methylpentanamide?
The InChIKey is ZRCKUKCONWIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-7(2)3-4-8(11)10-6-5-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-bromoethyl)-4-methylpentanamide?
N-(2-bromoethyl)-4-methylpentanamide has a molecular weight of 222.13 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-methylpentanamide is sourced from PubChem (CID 43133390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).