2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile

C14H7BrFN3 — CID 82798506

IUPAC2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2C#N)c(Br)c1
InChIInChI=1S/C14H7BrFN3/c15-11-6-9(7-17)4-5-14(11)19-13-3-1-2-12(16)10(13)8-18/h1-6,19H
InChIKeyKEAAAMFPDLVGNP-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.08
Rot. Bonds2

About 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile

2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile (PubChem CID 82798506) has the molecular formula C14H7BrFN3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
PubChem CID82798506
Molecular FormulaC14H7BrFN3
Molecular Weight316.13 g/mol
Exact Mass314.98
IUPAC Name2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2C#N)c(Br)c1
InChIInChI=1S/C14H7BrFN3/c15-11-6-9(7-17)4-5-14(11)19-13-3-1-2-12(16)10(13)8-18/h1-6,19H
InChIKeyKEAAAMFPDLVGNP-UHFFFAOYSA-N
XLogP4.08
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile 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

2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
4-(3-amino-2-methylanilino)-3-bromobenzonitrile
CID 107787207
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
3-bromo-4-(2-propan-2-ylanilino)benzonitrile
CID 82797986
3-bromo-4-[2-(trifluoromethoxy)anilino]benzonitrile
CID 82785825
3-bromo-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 82797410
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile (CID 82798506) is 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile is N#Cc1ccc(Nc2cccc(F)c2C#N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile?
The InChIKey is KEAAAMFPDLVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3/c15-11-6-9(7-17)4-5-14(11)19-13-3-1-2-12(16)10(13)8-18/h1-6,19H.
What are the key properties of 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile?
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile has a molecular weight of 316.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 82798506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).