2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide

C11H13BrClNO2 — CID 106365773

IUPAC2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
SMILESO=C(NC1CCCC1CCl)c1ccoc1Br
InChIInChI=1S/C11H13BrClNO2/c12-10-8(4-5-16-10)11(15)14-9-3-1-2-7(9)6-13/h4-5,7,9H,1-3,6H2,(H,14,15)
InChIKeyRKJBKDFDWOBUSE-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.18
Rot. Bonds3

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

2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide (PubChem CID 106365773) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
PubChem CID106365773
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
SMILESO=C(NC1CCCC1CCl)c1ccoc1Br
InChIInChI=1S/C11H13BrClNO2/c12-10-8(4-5-16-10)11(15)14-9-3-1-2-7(9)6-13/h4-5,7,9H,1-3,6H2,(H,14,15)
InChIKeyRKJBKDFDWOBUSE-UHFFFAOYSA-N
XLogP3.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.18
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-(chloromethyl)cyclopentyl]benzamide
CID 106365726
2-bromo-N-[2-(chloromethyl)cyclopentyl]-5-iodobenzamide
CID 106366054
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide (CID 106365773) is 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide is O=C(NC1CCCC1CCl)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide?
The InChIKey is RKJBKDFDWOBUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-10-8(4-5-16-10)11(15)14-9-3-1-2-7(9)6-13/h4-5,7,9H,1-3,6H2,(H,14,15).
What are the key properties of 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide?
2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide has a molecular weight of 306.59 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide is sourced from PubChem (CID 106365773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).