N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide

C13H18BrNO2 — CID 106128022

IUPACN-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Br)C2)c(C)o1
InChIInChI=1S/C13H18BrNO2/c1-8-5-12(9(2)17-8)13(16)15-7-10-3-4-11(14)6-10/h5,10-11H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyPFVWZSFMYONVIF-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.19
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 106128022) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID106128022
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Br)C2)c(C)o1
InChIInChI=1S/C13H18BrNO2/c1-8-5-12(9(2)17-8)13(16)15-7-10-3-4-11(14)6-10/h5,10-11H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyPFVWZSFMYONVIF-UHFFFAOYSA-N
XLogP3.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.19
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-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106128834
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
CID 106127955
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 106128022) is N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC2CCC(Br)C2)c(C)o1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PFVWZSFMYONVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8-5-12(9(2)17-8)13(16)15-7-10-3-4-11(14)6-10/h5,10-11H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 106128022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).