N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C15H26BrNO — CID 114177972

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(CCBr)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26BrNO/c1-15(2,3)13(6-7-16)17-14(18)12-9-10-4-5-11(12)8-10/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyOBLUDJMEGQPGLO-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.74
Rot. Bonds4

About N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114177972) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114177972
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(CCBr)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H26BrNO/c1-15(2,3)13(6-7-16)17-14(18)12-9-10-4-5-11(12)8-10/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyOBLUDJMEGQPGLO-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.74
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

N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 106356177
N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65191228
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 75689779
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
CID 82726517
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786792
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 114177972) is N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)C(CCBr)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OBLUDJMEGQPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-15(2,3)13(6-7-16)17-14(18)12-9-10-4-5-11(12)8-10/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114177972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).