N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide

C12H22BrNO — CID 114315142

IUPACN-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
SMILESCCC(CC)(CBr)NC(=O)C1CCCC1
InChIInChI=1S/C12H22BrNO/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyFIJUWFLSIBHJSF-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.25
Rot. Bonds5

About N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide

N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide (PubChem CID 114315142) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
PubChem CID114315142
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
SMILESCCC(CC)(CBr)NC(=O)C1CCCC1
InChIInChI=1S/C12H22BrNO/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyFIJUWFLSIBHJSF-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.25
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-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide
CID 65018271
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyloxolane-3-carboxamide
CID 107868115
N-[3-(bromomethyl)pentan-3-yl]-3-methyloxolane-2-carboxamide
CID 114315244
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide (CID 114315142) is N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide is CCC(CC)(CBr)NC(=O)C1CCCC1.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide?
The InChIKey is FIJUWFLSIBHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-12(4-2,9-13)14-11(15)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide?
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide has a molecular weight of 276.22 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 114315142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).