N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide

C11H20BrNO — CID 106355279

IUPACN-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
SMILESCC(C)C(CCBr)NC(=O)C1CCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(6-7-12)13-11(14)9-4-3-5-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeySKJFFFJCRZPVQL-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.71
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide

N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide (PubChem CID 106355279) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
PubChem CID106355279
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
SMILESCC(C)C(CCBr)NC(=O)C1CCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(6-7-12)13-11(14)9-4-3-5-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeySKJFFFJCRZPVQL-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.71
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-bromo-4-methylpentan-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106355181
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
N-(1-bromo-4-methylpentan-3-yl)adamantane-2-carboxamide
CID 106355336
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide
CID 106355055
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175
N-(1-bromo-4-methylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 106355140
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955
N-(1-bromo-4-methylpentan-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114177782

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide (CID 106355279) is N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide is CC(C)C(CCBr)NC(=O)C1CCC1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide?
The InChIKey is SKJFFFJCRZPVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(2)10(6-7-12)13-11(14)9-4-3-5-9/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide?
N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide has a molecular weight of 262.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 106355279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).