N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide

C11H14BrNO2 — CID 106366425

IUPACN-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
SMILESO=C(NC1CCCC1CBr)c1ccoc1
InChIInChI=1S/C11H14BrNO2/c12-6-8-2-1-3-10(8)13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14)
InChIKeyURFMQTCXRBXIFG-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.57
Rot. Bonds3

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

N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide (PubChem CID 106366425) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
PubChem CID106366425
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
SMILESO=C(NC1CCCC1CBr)c1ccoc1
InChIInChI=1S/C11H14BrNO2/c12-6-8-2-1-3-10(8)13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14)
InChIKeyURFMQTCXRBXIFG-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-aminocycloheptyl)furan-3-carboxamide
CID 63258203
2-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64812899
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
N-[2-(bromomethyl)cyclopentyl]-4-fluoro-3-methoxybenzamide
CID 106366287

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide (CID 106366425) is N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide is O=C(NC1CCCC1CBr)c1ccoc1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide?
The InChIKey is URFMQTCXRBXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-6-8-2-1-3-10(8)13-11(14)9-4-5-15-7-9/h4-5,7-8,10H,1-3,6H2,(H,13,14).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide?
N-[2-(bromomethyl)cyclopentyl]furan-3-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-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide is sourced from PubChem (CID 106366425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).