N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide

C12H15BrClNO2 — CID 106689910

IUPACN-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C12H15BrClNO2/c13-6-7-15(9-3-1-2-4-9)12(16)10-5-8-17-11(10)14/h5,8-9H,1-4,6-7H2
InChIKeyZJBUYGDFOHEWNR-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.71
Rot. Bonds4

About N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide

N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide (PubChem CID 106689910) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
PubChem CID106689910
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C12H15BrClNO2/c13-6-7-15(9-3-1-2-4-9)12(16)10-5-8-17-11(10)14/h5,8-9H,1-4,6-7H2
InChIKeyZJBUYGDFOHEWNR-UHFFFAOYSA-N
XLogP3.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide (CID 106689910) is N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide is O=C(c1ccoc1Cl)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide?
The InChIKey is ZJBUYGDFOHEWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-6-7-15(9-3-1-2-4-9)12(16)10-5-8-17-11(10)14/h5,8-9H,1-4,6-7H2.
What are the key properties of N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide?
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide has a molecular weight of 320.61 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide is sourced from PubChem (CID 106689910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).