N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide

C10H14BrNO2 — CID 80659443

IUPACN-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(CCBr)C(=O)CCc1ccco1
InChIInChI=1S/C10H14BrNO2/c1-12(7-6-11)10(13)5-4-9-3-2-8-14-9/h2-3,8H,4-7H2,1H3
InChIKeyMWFDDISRFLSJLT-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.07
Rot. Bonds5

About N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide

N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 80659443) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
PubChem CID80659443
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(CCBr)C(=O)CCc1ccco1
InChIInChI=1S/C10H14BrNO2/c1-12(7-6-11)10(13)5-4-9-3-2-8-14-9/h2-3,8H,4-7H2,1H3
InChIKeyMWFDDISRFLSJLT-UHFFFAOYSA-N
XLogP2.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.07
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-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63930998
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide (CID 80659443) is N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide is CN(CCBr)C(=O)CCc1ccco1.
What is the InChIKey of N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is MWFDDISRFLSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-12(7-6-11)10(13)5-4-9-3-2-8-14-9/h2-3,8H,4-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide?
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 260.13 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 80659443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).