5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide

C9H11Br2NO2 — CID 80660635

IUPAC5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(CCBr)C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11Br2NO2/c1-2-12(6-5-10)9(13)7-3-4-8(11)14-7/h3-4H,2,5-6H2,1H3
InChIKeyLOSPPIOHNLCLAP-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide

5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide (PubChem CID 80660635) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
PubChem CID80660635
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(CCBr)C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11Br2NO2/c1-2-12(6-5-10)9(13)7-3-4-8(11)14-7/h3-4H,2,5-6H2,1H3
InChIKeyLOSPPIOHNLCLAP-UHFFFAOYSA-N
XLogP2.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007116
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
CID 79667687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide (CID 80660635) is 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide is CCN(CCBr)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide?
The InChIKey is LOSPPIOHNLCLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c1-2-12(6-5-10)9(13)7-3-4-8(11)14-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide?
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide has a molecular weight of 325.00 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 80660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).