5-bromo-N-(2-bromoprop-2-enyl)pentanamide

C8H13Br2NO — CID 107910577

IUPAC5-bromo-N-(2-bromoprop-2-enyl)pentanamide
SMILESC=C(Br)CNC(=O)CCCCBr
InChIInChI=1S/C8H13Br2NO/c1-7(10)6-11-8(12)4-2-3-5-9/h1-6H2,(H,11,12)
InChIKeyBLFHNBOTJYJJDN-UHFFFAOYSA-N
MW299.01 g/mol
LogP2.58
Rot. Bonds6

About 5-bromo-N-(2-bromoprop-2-enyl)pentanamide

5-bromo-N-(2-bromoprop-2-enyl)pentanamide (PubChem CID 107910577) has the molecular formula C8H13Br2NO and a molecular weight of 299.01 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoprop-2-enyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoprop-2-enyl)pentanamide
PubChem CID107910577
Molecular FormulaC8H13Br2NO
Molecular Weight299.01 g/mol
Exact Mass296.94
IUPAC Name5-bromo-N-(2-bromoprop-2-enyl)pentanamide
SMILESC=C(Br)CNC(=O)CCCCBr
InChIInChI=1S/C8H13Br2NO/c1-7(10)6-11-8(12)4-2-3-5-9/h1-6H2,(H,11,12)
InChIKeyBLFHNBOTJYJJDN-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-bromoprop-2-enyl)pentanamide (CID 107910577) is 5-bromo-N-(2-bromoprop-2-enyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-bromoprop-2-enyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-bromoprop-2-enyl)pentanamide is C=C(Br)CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-bromoprop-2-enyl)pentanamide?
The InChIKey is BLFHNBOTJYJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br2NO/c1-7(10)6-11-8(12)4-2-3-5-9/h1-6H2,(H,11,12).
What are the key properties of 5-bromo-N-(2-bromoprop-2-enyl)pentanamide?
5-bromo-N-(2-bromoprop-2-enyl)pentanamide has a molecular weight of 299.01 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoprop-2-enyl)pentanamide is sourced from PubChem (CID 107910577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).