2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline

C12H10Br2FNO — CID 104652219

IUPAC2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Br)c1ccc(Br)o1
InChIInChI=1S/C12H10Br2FNO/c1-7(11-4-5-12(14)17-11)16-10-3-2-8(15)6-9(10)13/h2-7,16H,1H3
InChIKeySQAKJALPCQXRRY-UHFFFAOYSA-N
MW363.02 g/mol
LogP5.12
Rot. Bonds3

About 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline

2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline (PubChem CID 104652219) has the molecular formula C12H10Br2FNO and a molecular weight of 363.02 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
PubChem CID104652219
Molecular FormulaC12H10Br2FNO
Molecular Weight363.02 g/mol
Exact Mass360.91
IUPAC Name2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Br)c1ccc(Br)o1
InChIInChI=1S/C12H10Br2FNO/c1-7(11-4-5-12(14)17-11)16-10-3-2-8(15)6-9(10)13/h2-7,16H,1H3
InChIKeySQAKJALPCQXRRY-UHFFFAOYSA-N
XLogP5.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.02
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline 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

methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate
CID 103236382
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
2-bromo-N-but-3-en-2-yl-4-fluoroaniline
CID 107906501
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-difluoro-5-nitroaniline
CID 104652554
2-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoroaniline
CID 43119299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline (CID 104652219) is 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1Br)c1ccc(Br)o1.
What is the InChIKey of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline?
The InChIKey is SQAKJALPCQXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNO/c1-7(11-4-5-12(14)17-11)16-10-3-2-8(15)6-9(10)13/h2-7,16H,1H3.
What are the key properties of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline?
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline has a molecular weight of 363.02 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 104652219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).