N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide

C11H20BrNO — CID 114316713

IUPACN-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
SMILESCC(CCBr)CNC(=O)C1CCCC1
InChIInChI=1S/C11H20BrNO/c1-9(6-7-12)8-13-11(14)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyRTNYZODFRWORMO-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.71
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide

N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide (PubChem CID 114316713) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
PubChem CID114316713
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
SMILESCC(CCBr)CNC(=O)C1CCCC1
InChIInChI=1S/C11H20BrNO/c1-9(6-7-12)8-13-11(14)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyRTNYZODFRWORMO-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-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894277
N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
CID 83151244
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide (CID 114316713) is N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide is CC(CCBr)CNC(=O)C1CCCC1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide?
The InChIKey is RTNYZODFRWORMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-9(6-7-12)8-13-11(14)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide?
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide 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-(4-bromo-2-methylbutyl)cyclopentanecarboxamide is sourced from PubChem (CID 114316713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).