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

C8H9BrClNO2 — CID 106689914

IUPACN-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(CCBr)C(=O)c1ccoc1Cl
InChIInChI=1S/C8H9BrClNO2/c1-11(4-3-9)8(12)6-2-5-13-7(6)10/h2,5H,3-4H2,1H3
InChIKeyYATSSRUQFXAPJR-UHFFFAOYSA-N
MW266.52 g/mol
LogP2.40
Rot. Bonds3

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

N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide (PubChem CID 106689914) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
PubChem CID106689914
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC NameN-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
SMILESCN(CCBr)C(=O)c1ccoc1Cl
InChIInChI=1S/C8H9BrClNO2/c1-11(4-3-9)8(12)6-2-5-13-7(6)10/h2,5H,3-4H2,1H3
InChIKeyYATSSRUQFXAPJR-UHFFFAOYSA-N
XLogP2.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 52.40
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

2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 80659052
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 80658337
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
CID 106685395

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide (CID 106689914) is N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide is CN(CCBr)C(=O)c1ccoc1Cl.
What is the InChIKey of N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide?
The InChIKey is YATSSRUQFXAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c1-11(4-3-9)8(12)6-2-5-13-7(6)10/h2,5H,3-4H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide?
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide has a molecular weight of 266.52 g/mol, XLogP of 2.40, 3 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-methylfuran-3-carboxamide is sourced from PubChem (CID 106689914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).