2-(2-bromo-4-fluoroanilino)benzonitrile

C13H8BrFN2 — CID 28939525

IUPAC2-(2-bromo-4-fluoroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrFN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H
InChIKeyZLPKFIBAHOIDIR-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.20
Rot. Bonds2

About 2-(2-bromo-4-fluoroanilino)benzonitrile

2-(2-bromo-4-fluoroanilino)benzonitrile (PubChem CID 28939525) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)benzonitrile
PubChem CID28939525
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name2-(2-bromo-4-fluoroanilino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrFN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H
InChIKeyZLPKFIBAHOIDIR-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Trifluoromethyl-phenylamino)-b
CID 11673349
2-((4-Fluorophenyl)amino)benzonitrile
CID 28602059
2-(Benzylamino)-6-fluorobenzonitrile
CID 43399492
2-Anilino-2-(4-bromophenyl)acetonitrile
CID 4458488
2-(Phenylamino)benzonitrile
CID 252880
N-Benzyl-2-bromoaniline
CID 10084034
4-[(5-Bromo-2-fluorophenyl)methylamino]benzonitrile
CID 28475821
4-Bromo-1-fluoro-2-(phenylaminomethyl)benzene
CID 28424084
4-(((3-Bromophenyl)amino)methyl)-3-fluorobenzonitrile
CID 28581246
2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
CID 11675116
2-Bromo-N-[3-(trifluoromethyl)phenyl]aniline
CID 13052759
4-((4-Fluorophenyl)amino)benzonitrile
CID 28411201

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)benzonitrile?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)benzonitrile (CID 28939525) is 2-(2-bromo-4-fluoroanilino)benzonitrile.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)benzonitrile?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)benzonitrile is N#Cc1ccccc1Nc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)benzonitrile?
The InChIKey is ZLPKFIBAHOIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h1-7,17H.
What are the key properties of 2-(2-bromo-4-fluoroanilino)benzonitrile?
2-(2-bromo-4-fluoroanilino)benzonitrile has a molecular weight of 291.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)benzonitrile is sourced from PubChem (CID 28939525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).