N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide

C10H13BrClNO3 — CID 106690138

IUPACN-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CCBr)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H13BrClNO3/c1-15-7-6-13(5-4-11)10(14)8-2-3-9(12)16-8/h2-3H,4-7H2,1H3
InChIKeyVSLJYPWXUIXCDL-UHFFFAOYSA-N
MW310.57 g/mol
LogP2.42
Rot. Bonds6

About N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide

N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 106690138) has the molecular formula C10H13BrClNO3 and a molecular weight of 310.57 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID106690138
Molecular FormulaC10H13BrClNO3
Molecular Weight310.57 g/mol
Exact Mass308.98
IUPAC NameN-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CCBr)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H13BrClNO3/c1-15-7-6-13(5-4-11)10(14)8-2-3-9(12)16-8/h2-3H,4-7H2,1H3
InChIKeyVSLJYPWXUIXCDL-UHFFFAOYSA-N
XLogP2.42
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
N-(2-bromoethyl)-5-chloro-N-cyclopropylfuran-2-carboxamide
CID 106689937
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrothiophene-2-carboxamide
CID 114033525
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide (CID 106690138) is N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(CCBr)C(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is VSLJYPWXUIXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3/c1-15-7-6-13(5-4-11)10(14)8-2-3-9(12)16-8/h2-3H,4-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide?
N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 310.57 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 106690138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).