3,5-dibromo-2-butylheptanamide

C11H21Br2NO — CID 90758931

IUPAC3,5-dibromo-2-butylheptanamide
SMILESCCCCC(C(N)=O)C(Br)CC(Br)CC
InChIInChI=1S/C11H21Br2NO/c1-3-5-6-9(11(14)15)10(13)7-8(12)4-2/h8-10H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJBJGLMPKYYFKQY-UHFFFAOYSA-N
MW343.10 g/mol
LogP3.61
Rot. Bonds8

About 3,5-dibromo-2-butylheptanamide

3,5-dibromo-2-butylheptanamide (PubChem CID 90758931) has the molecular formula C11H21Br2NO and a molecular weight of 343.10 g/mol. Its IUPAC name is 3,5-dibromo-2-butylheptanamide.

Molecular Properties

Compound Name3,5-dibromo-2-butylheptanamide
PubChem CID90758931
Molecular FormulaC11H21Br2NO
Molecular Weight343.10 g/mol
Exact Mass341.00
IUPAC Name3,5-dibromo-2-butylheptanamide
SMILESCCCCC(C(N)=O)C(Br)CC(Br)CC
InChIInChI=1S/C11H21Br2NO/c1-3-5-6-9(11(14)15)10(13)7-8(12)4-2/h8-10H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJBJGLMPKYYFKQY-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 53.61
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-3-butylheptanamide
CID 174327327
lithium;2-ethylhexanamide;hydride
CID 173043498
2-[(1S)-1-aminopropyl]decanamide
CID 89316918
3-carbamoylheptane-2-sulfonic acid
CID 122612183
2-ethyl-3-(fluoromethyl)octanamide
CID 173440200
2-butylpropanediamide
CID 2317243
2-(1-aminoethyl)hexadecanamide
CID 18355676
3-methyl-2-tetradecylhenicosanamide
CID 175222412
2-methylhexanamide
CID 2828737
2-heptan-3-yloctadec-9-enamide
CID 173151997
2,9-dibutyldecanediamide
CID 141080467
2-propylhexanamide
CID 19818979

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-butylheptanamide?
The IUPAC name of 3,5-dibromo-2-butylheptanamide (CID 90758931) is 3,5-dibromo-2-butylheptanamide.
What is the SMILES notation for 3,5-dibromo-2-butylheptanamide?
The canonical SMILES for 3,5-dibromo-2-butylheptanamide is CCCCC(C(N)=O)C(Br)CC(Br)CC.
What is the InChIKey of 3,5-dibromo-2-butylheptanamide?
The InChIKey is JBJGLMPKYYFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br2NO/c1-3-5-6-9(11(14)15)10(13)7-8(12)4-2/h8-10H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 3,5-dibromo-2-butylheptanamide?
3,5-dibromo-2-butylheptanamide has a molecular weight of 343.10 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-butylheptanamide is sourced from PubChem (CID 90758931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).