2,3-dibromo-N-(2-methylpropyl)propanamide

C7H13Br2NO — CID 21396704

IUPAC2,3-dibromo-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(Br)CBr
InChIInChI=1S/C7H13Br2NO/c1-5(2)4-10-7(11)6(9)3-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLDVNYUGOJZIXTO-UHFFFAOYSA-N
MW287.00 g/mol
LogP1.92
Rot. Bonds4

About 2,3-dibromo-N-(2-methylpropyl)propanamide

2,3-dibromo-N-(2-methylpropyl)propanamide (PubChem CID 21396704) has the molecular formula C7H13Br2NO and a molecular weight of 287.00 g/mol. Its IUPAC name is 2,3-dibromo-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2,3-dibromo-N-(2-methylpropyl)propanamide
PubChem CID21396704
Molecular FormulaC7H13Br2NO
Molecular Weight287.00 g/mol
Exact Mass284.94
IUPAC Name2,3-dibromo-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(Br)CBr
InChIInChI=1S/C7H13Br2NO/c1-5(2)4-10-7(11)6(9)3-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLDVNYUGOJZIXTO-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.00
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
ethane;N-(2-methylpropyl)acetamide
CID 142232237
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 164555835
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
3-methyl-4-(2-methylpropylamino)-4-oxobutanoic acid
CID 58719925
(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
CID 138622913
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N-(2-methylpropyl)propanamide?
The IUPAC name of 2,3-dibromo-N-(2-methylpropyl)propanamide (CID 21396704) is 2,3-dibromo-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2,3-dibromo-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2,3-dibromo-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N-(2-methylpropyl)propanamide?
The InChIKey is LDVNYUGOJZIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br2NO/c1-5(2)4-10-7(11)6(9)3-8/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,3-dibromo-N-(2-methylpropyl)propanamide?
2,3-dibromo-N-(2-methylpropyl)propanamide has a molecular weight of 287.00 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 21396704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).