2,3-dibromo-N-(3-methylpentan-2-yl)propanamide

C9H17Br2NO — CID 71386021

IUPAC2,3-dibromo-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)C(Br)CBr
InChIInChI=1S/C9H17Br2NO/c1-4-6(2)7(3)12-9(13)8(11)5-10/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyHQOKXUDQTVUHHW-UHFFFAOYSA-N
MW315.05 g/mol
LogP2.70
Rot. Bonds5

About 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide

2,3-dibromo-N-(3-methylpentan-2-yl)propanamide (PubChem CID 71386021) has the molecular formula C9H17Br2NO and a molecular weight of 315.05 g/mol. Its IUPAC name is 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2,3-dibromo-N-(3-methylpentan-2-yl)propanamide
PubChem CID71386021
Molecular FormulaC9H17Br2NO
Molecular Weight315.05 g/mol
Exact Mass312.97
IUPAC Name2,3-dibromo-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)C(Br)CBr
InChIInChI=1S/C9H17Br2NO/c1-4-6(2)7(3)12-9(13)8(11)5-10/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyHQOKXUDQTVUHHW-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.05
LogP ≤ 52.70
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 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide?
The IUPAC name of 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide (CID 71386021) is 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide?
The canonical SMILES for 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide is CCC(C)C(C)NC(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide?
The InChIKey is HQOKXUDQTVUHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br2NO/c1-4-6(2)7(3)12-9(13)8(11)5-10/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide?
2,3-dibromo-N-(3-methylpentan-2-yl)propanamide has a molecular weight of 315.05 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-(3-methylpentan-2-yl)propanamide is sourced from PubChem (CID 71386021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).