2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile

C13H6Br2F2N2 — CID 107533046

IUPAC2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2F)c(F)c1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-4-10(9(16)5-8)19-11-3-1-7(6-18)12(15)13(11)17/h1-5,19H
InChIKeyNGMJMHNVSNBJFW-UHFFFAOYSA-N
MW388.01 g/mol
LogP5.11
Rot. Bonds2

About 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile

2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile (PubChem CID 107533046) has the molecular formula C13H6Br2F2N2 and a molecular weight of 388.01 g/mol. Its IUPAC name is 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
PubChem CID107533046
Molecular FormulaC13H6Br2F2N2
Molecular Weight388.01 g/mol
Exact Mass385.89
IUPAC Name2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2F)c(F)c1Br
InChIInChI=1S/C13H6Br2F2N2/c14-8-2-4-10(9(16)5-8)19-11-3-1-7(6-18)12(15)13(11)17/h1-5,19H
InChIKeyNGMJMHNVSNBJFW-UHFFFAOYSA-N
XLogP5.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.01
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
CID 107533888
2-bromo-4-(4-chloro-2-iodoanilino)-3-fluorobenzonitrile
CID 107635251
2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
CID 107600391
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
2-bromo-3-fluoro-4-(4-methoxyanilino)benzonitrile
CID 107532976
2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
CID 107533775
4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124
4-amino-3-(4-bromo-2-fluoroanilino)benzonitrile
CID 104711437
2-bromo-3-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 107533146
2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile
CID 107533306
2-bromo-3-fluoro-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 107533809
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile (CID 107533046) is 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2ccc(Br)cc2F)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile?
The InChIKey is NGMJMHNVSNBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F2N2/c14-8-2-4-10(9(16)5-8)19-11-3-1-7(6-18)12(15)13(11)17/h1-5,19H.
What are the key properties of 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile?
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile has a molecular weight of 388.01 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 107533046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).