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

C12H10Br2FNS — CID 63423744

IUPAC5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C12H10Br2FNS/c1-7(11-4-5-12(14)17-11)16-10-6-8(13)2-3-9(10)15/h2-7,16H,1H3
InChIKeyGKSILPWPNFMFEM-UHFFFAOYSA-N
MW379.09 g/mol
LogP5.59
Rot. Bonds3

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

5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline (PubChem CID 63423744) has the molecular formula C12H10Br2FNS and a molecular weight of 379.09 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
PubChem CID63423744
Molecular FormulaC12H10Br2FNS
Molecular Weight379.09 g/mol
Exact Mass376.89
IUPAC Name5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C12H10Br2FNS/c1-7(11-4-5-12(14)17-11)16-10-6-8(13)2-3-9(10)15/h2-7,16H,1H3
InChIKeyGKSILPWPNFMFEM-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.09
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-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

5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 114052002
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-bromo-2-fluoroaniline
CID 43555330
4-bromo-2,5-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 107609300
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline (CID 63423744) is 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline is CC(Nc1cc(Br)ccc1F)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline?
The InChIKey is GKSILPWPNFMFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNS/c1-7(11-4-5-12(14)17-11)16-10-6-8(13)2-3-9(10)15/h2-7,16H,1H3.
What are the key properties of 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline?
5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline has a molecular weight of 379.09 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 63423744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).