5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile

C15H12BrFN2 — CID 82708478

IUPAC5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Br)cc1C#N)c1ccccc1F
InChIInChI=1S/C15H12BrFN2/c1-10(13-4-2-3-5-14(13)17)19-15-7-6-12(16)8-11(15)9-18/h2-8,10,19H,1H3
InChIKeyUQQGWMKPGMSHBT-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.63
Rot. Bonds3

About 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile

5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile (PubChem CID 82708478) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
PubChem CID82708478
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Br)cc1C#N)c1ccccc1F
InChIInChI=1S/C15H12BrFN2/c1-10(13-4-2-3-5-14(13)17)19-15-7-6-12(16)8-11(15)9-18/h2-8,10,19H,1H3
InChIKeyUQQGWMKPGMSHBT-UHFFFAOYSA-N
XLogP4.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile 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

4-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile
CID 114901600
4-bromo-2-[1-(4-bromo-2-fluorophenyl)ethylamino]benzonitrile
CID 107797536
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
2-[1-(3-aminophenyl)ethylamino]-5-bromobenzonitrile
CID 114895108
5-bromo-2-[1-(3,5-dihydroxyphenyl)ethylamino]benzonitrile
CID 107707024
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
5-bromo-2-[1-(furan-3-yl)ethylamino]benzonitrile
CID 82703205
5-bromo-2-(but-3-en-2-ylamino)benzonitrile
CID 114890873
5-bromo-2-(4-phenylbutan-2-ylamino)benzonitrile
CID 82708146
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile?
The IUPAC name of 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile (CID 82708478) is 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile?
The canonical SMILES for 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile is CC(Nc1ccc(Br)cc1C#N)c1ccccc1F.
What is the InChIKey of 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile?
The InChIKey is UQQGWMKPGMSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-10(13-4-2-3-5-14(13)17)19-15-7-6-12(16)8-11(15)9-18/h2-8,10,19H,1H3.
What are the key properties of 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile?
5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile has a molecular weight of 319.18 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(2-fluorophenyl)ethylamino]benzonitrile is sourced from PubChem (CID 82708478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).