4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile

C14H9Br2FN2 — CID 114902260

IUPAC4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
SMILESCc1cc(Br)c(F)cc1Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H9Br2FN2/c1-8-4-11(16)12(17)6-13(8)19-14-5-10(15)3-2-9(14)7-18/h2-6,19H,1H3
InChIKeyAQDRZPUXRYEVDD-UHFFFAOYSA-N
MW384.05 g/mol
LogP5.27
Rot. Bonds2

About 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile

4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile (PubChem CID 114902260) has the molecular formula C14H9Br2FN2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
PubChem CID114902260
Molecular FormulaC14H9Br2FN2
Molecular Weight384.05 g/mol
Exact Mass381.91
IUPAC Name4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile
SMILESCc1cc(Br)c(F)cc1Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H9Br2FN2/c1-8-4-11(16)12(17)6-13(8)19-14-5-10(15)3-2-9(14)7-18/h2-6,19H,1H3
InChIKeyAQDRZPUXRYEVDD-UHFFFAOYSA-N
XLogP5.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124
2-(4-bromo-5-fluoro-2-methylanilino)-5-methylbenzonitrile
CID 107927887
2-(4-bromo-2,5-difluoroanilino)-4-methylbenzonitrile
CID 107612099
4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
CID 114901411
4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzenecarbothioamide
CID 114903557
4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-(4-amino-2-fluoro-5-methoxyanilino)-4-bromobenzonitrile
CID 107797175
4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile?
The IUPAC name of 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile (CID 114902260) is 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile?
The canonical SMILES for 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile is Cc1cc(Br)c(F)cc1Nc1cc(Br)ccc1C#N.
What is the InChIKey of 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile?
The InChIKey is AQDRZPUXRYEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2/c1-8-4-11(16)12(17)6-13(8)19-14-5-10(15)3-2-9(14)7-18/h2-6,19H,1H3.
What are the key properties of 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile?
4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile has a molecular weight of 384.05 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-5-fluoro-2-methylanilino)benzonitrile is sourced from PubChem (CID 114902260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).