5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile

C14H7Br2F3N2 — CID 107600328

IUPAC5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(Nc2c(Br)cccc2Br)ccc1C(F)(F)F
InChIInChI=1S/C14H7Br2F3N2/c15-11-2-1-3-12(16)13(11)21-9-4-5-10(14(17,18)19)8(6-9)7-20/h1-6,21H
InChIKeyMBBRXNPKZZLRBP-UHFFFAOYSA-N
MW420.03 g/mol
LogP5.85
Rot. Bonds2

About 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile

5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile (PubChem CID 107600328) has the molecular formula C14H7Br2F3N2 and a molecular weight of 420.03 g/mol. Its IUPAC name is 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile
PubChem CID107600328
Molecular FormulaC14H7Br2F3N2
Molecular Weight420.03 g/mol
Exact Mass417.89
IUPAC Name5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(Nc2c(Br)cccc2Br)ccc1C(F)(F)F
InChIInChI=1S/C14H7Br2F3N2/c15-11-2-1-3-12(16)13(11)21-9-4-5-10(14(17,18)19)8(6-9)7-20/h1-6,21H
InChIKeyMBBRXNPKZZLRBP-UHFFFAOYSA-N
XLogP5.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.03
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
CID 43138526
5-bromo-2-(trifluoromethyl)benzonitrile
CID 50998133
3-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 107106737
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
5-(2,2-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 103461766
5-(3-methylpentan-3-ylamino)-2-(trifluoromethyl)benzonitrile
CID 106328917
5-(2-methoxypropylamino)-2-(trifluoromethyl)benzonitrile
CID 102698213
4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320672
4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
5-(2-ethylsulfinylethylamino)-2-(trifluoromethyl)benzonitrile
CID 104843765
5-(pent-4-ynylamino)-2-(trifluoromethyl)benzonitrile
CID 113459943

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile (CID 107600328) is 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile is N#Cc1cc(Nc2c(Br)cccc2Br)ccc1C(F)(F)F.
What is the InChIKey of 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile?
The InChIKey is MBBRXNPKZZLRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2F3N2/c15-11-2-1-3-12(16)13(11)21-9-4-5-10(14(17,18)19)8(6-9)7-20/h1-6,21H.
What are the key properties of 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile?
5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile has a molecular weight of 420.03 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibromoanilino)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 107600328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).