2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile

C14H9BrClFN2 — CID 104723792

IUPAC2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
SMILESCc1cc(Br)c(Nc2cccc(F)c2C#N)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c1-8-5-10(15)14(6-11(8)16)19-13-4-2-3-12(17)9(13)7-18/h2-6,19H,1H3
InChIKeyYAIKEZXQXSRAAX-UHFFFAOYSA-N
MW339.60 g/mol
LogP5.17
Rot. Bonds2

About 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile

2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile (PubChem CID 104723792) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
PubChem CID104723792
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
SMILESCc1cc(Br)c(Nc2cccc(F)c2C#N)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c1-8-5-10(15)14(6-11(8)16)19-13-4-2-3-12(17)9(13)7-18/h2-6,19H,1H3
InChIKeyYAIKEZXQXSRAAX-UHFFFAOYSA-N
XLogP5.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.60
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
CID 104723763
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
CID 78916069
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
CID 103583178
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
5-amino-2-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 104722313

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile (CID 104723792) is 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile is Cc1cc(Br)c(Nc2cccc(F)c2C#N)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile?
The InChIKey is YAIKEZXQXSRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c1-8-5-10(15)14(6-11(8)16)19-13-4-2-3-12(17)9(13)7-18/h2-6,19H,1H3.
What are the key properties of 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile?
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile has a molecular weight of 339.60 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 104723792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).