2-bromo-3-butylheptanamide

C11H22BrNO — CID 174327327

IUPAC2-bromo-3-butylheptanamide
SMILESCCCCC(CCCC)C(Br)C(N)=O
InChIInChI=1S/C11H22BrNO/c1-3-5-7-9(8-6-4-2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQGXCRTGGTOMBHM-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.23
Rot. Bonds8

About 2-bromo-3-butylheptanamide

2-bromo-3-butylheptanamide (PubChem CID 174327327) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-bromo-3-butylheptanamide.

Molecular Properties

Compound Name2-bromo-3-butylheptanamide
PubChem CID174327327
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-bromo-3-butylheptanamide
SMILESCCCCC(CCCC)C(Br)C(N)=O
InChIInChI=1S/C11H22BrNO/c1-3-5-7-9(8-6-4-2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQGXCRTGGTOMBHM-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.23
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-butylpropanediamide
CID 2317243
2-methylhexanamide
CID 2828737
2,9-dibutyldecanediamide
CID 141080467
2-propylhexanamide
CID 19818979
2-methylheptanamide;2-methylhexanamide
CID 160718848
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
3,5-dibromo-2-butylheptanamide
CID 90758931
3-(dibromomethyl)heptane
CID 87164380
ethyl 2-carbamoylhexanoate
CID 13444608
lithium;2-ethylhexanamide;hydride
CID 173043498
N-(1-bromo-2-ethylhexyl)carbamoyl bromide
CID 54533438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-butylheptanamide?
The IUPAC name of 2-bromo-3-butylheptanamide (CID 174327327) is 2-bromo-3-butylheptanamide.
What is the SMILES notation for 2-bromo-3-butylheptanamide?
The canonical SMILES for 2-bromo-3-butylheptanamide is CCCCC(CCCC)C(Br)C(N)=O.
What is the InChIKey of 2-bromo-3-butylheptanamide?
The InChIKey is QGXCRTGGTOMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-3-5-7-9(8-6-4-2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-bromo-3-butylheptanamide?
2-bromo-3-butylheptanamide has a molecular weight of 264.21 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-butylheptanamide is sourced from PubChem (CID 174327327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).