4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile

C14H8BrF3N2 — CID 43138526

IUPAC4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Br)c2)cc1C(F)(F)F
InChIInChI=1S/C14H8BrF3N2/c15-10-2-1-3-11(6-10)20-12-5-4-9(8-19)13(7-12)14(16,17)18/h1-7,20H
InChIKeyGIKREQFHAREVGS-UHFFFAOYSA-N
MW341.13 g/mol
LogP5.08
Rot. Bonds2

About 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile

4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile (PubChem CID 43138526) has the molecular formula C14H8BrF3N2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
PubChem CID43138526
Molecular FormulaC14H8BrF3N2
Molecular Weight341.13 g/mol
Exact Mass339.98
IUPAC Name4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Br)c2)cc1C(F)(F)F
InChIInChI=1S/C14H8BrF3N2/c15-10-2-1-3-11(6-10)20-12-5-4-9(8-19)13(7-12)14(16,17)18/h1-7,20H
InChIKeyGIKREQFHAREVGS-UHFFFAOYSA-N
XLogP5.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.13
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320672
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
4-[(5-bromo-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65484365
5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile
CID 107600328
4-(3-amino-5-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 115980818
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65485739
4-[(3-bromo-4-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104778505
5-bromo-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 114890599
4-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 114837184
4-[(4-bromothiophen-2-yl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 63902497
4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile
CID 83016971

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile (CID 43138526) is 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Nc2cccc(Br)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile?
The InChIKey is GIKREQFHAREVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2/c15-10-2-1-3-11(6-10)20-12-5-4-9(8-19)13(7-12)14(16,17)18/h1-7,20H.
What are the key properties of 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile?
4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile has a molecular weight of 341.13 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43138526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).