N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide

C13H18BrNO2 — CID 114317234

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCC1CBr
InChIInChI=1S/C13H18BrNO2/c1-9-5-6-17-12(9)13(16)15-8-11-4-2-3-10(11)7-14/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyPLAFGEHUSJOZRN-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.13
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 114317234) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
PubChem CID114317234
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCC1CBr
InChIInChI=1S/C13H18BrNO2/c1-9-5-6-17-12(9)13(16)15-8-11-4-2-3-10(11)7-14/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyPLAFGEHUSJOZRN-UHFFFAOYSA-N
XLogP3.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide (CID 114317234) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is PLAFGEHUSJOZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-5-6-17-12(9)13(16)15-8-11-4-2-3-10(11)7-14/h5-6,10-11H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 114317234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).