N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide

C11H14BrNO2 — CID 106128590

IUPACN-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1ccco1
InChIInChI=1S/C11H14BrNO2/c12-9-4-3-8(6-9)7-13-11(14)10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7H2,(H,13,14)
InChIKeyNUBCMIQWVJUDHZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.57
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide

N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide (PubChem CID 106128590) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
PubChem CID106128590
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(Br)C1)c1ccco1
InChIInChI=1S/C11H14BrNO2/c12-9-4-3-8(6-9)7-13-11(14)10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7H2,(H,13,14)
InChIKeyNUBCMIQWVJUDHZ-UHFFFAOYSA-N
XLogP2.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.57
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-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 103280341
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide (CID 106128590) is N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide is O=C(NCC1CCC(Br)C1)c1ccco1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide?
The InChIKey is NUBCMIQWVJUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-9-4-3-8(6-9)7-13-11(14)10-2-1-5-15-10/h1-2,5,8-9H,3-4,6-7H2,(H,13,14).
What are the key properties of N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide?
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide has a molecular weight of 272.14 g/mol, XLogP of 2.57, 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]furan-2-carboxamide is sourced from PubChem (CID 106128590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).