N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C18H26BrNO — CID 107233782

IUPACN-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C18H26BrNO/c1-14(2)11-18(9-3-4-10-18)17(21)20-13-16-7-5-15(12-19)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21)
InChIKeyANNYWXGDRAUEMR-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.80
Rot. Bonds6

About N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 107233782) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID107233782
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCc2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C18H26BrNO/c1-14(2)11-18(9-3-4-10-18)17(21)20-13-16-7-5-15(12-19)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21)
InChIKeyANNYWXGDRAUEMR-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.80
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-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114307329
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106254606
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114315007
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113272943

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 107233782) is N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCc2ccc(CBr)cc2)CCCC1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is ANNYWXGDRAUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-14(2)11-18(9-3-4-10-18)17(21)20-13-16-7-5-15(12-19)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107233782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).