4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile

C13H6BrClF2N2 — CID 63512271

IUPAC4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Br)cc1Cl
InChIInChI=1S/C13H6BrClF2N2/c14-10-3-8(16)4-12(17)13(10)19-9-2-1-7(6-18)11(15)5-9/h1-5,19H
InChIKeyKTKITLRJBYUNIF-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.00
Rot. Bonds2

About 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile

4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile (PubChem CID 63512271) has the molecular formula C13H6BrClF2N2 and a molecular weight of 343.56 g/mol. Its IUPAC name is 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
PubChem CID63512271
Molecular FormulaC13H6BrClF2N2
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cc(F)cc2Br)cc1Cl
InChIInChI=1S/C13H6BrClF2N2/c14-10-3-8(16)4-12(17)13(10)19-9-2-1-7(6-18)11(15)5-9/h1-5,19H
InChIKeyKTKITLRJBYUNIF-UHFFFAOYSA-N
XLogP5.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
CID 114901411
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
4-(4-bromo-2,3-dichloroanilino)-2-chlorobenzonitrile
CID 107790842
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
2-bromo-4-(2,3,5-trifluoroanilino)benzonitrile
CID 107276295
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
4-(4-bromo-2,5-difluoroanilino)-2-fluorobenzonitrile
CID 107612112
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile?
The IUPAC name of 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile (CID 63512271) is 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile.
What is the SMILES notation for 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile?
The canonical SMILES for 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile is N#Cc1ccc(Nc2c(F)cc(F)cc2Br)cc1Cl.
What is the InChIKey of 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile?
The InChIKey is KTKITLRJBYUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2N2/c14-10-3-8(16)4-12(17)13(10)19-9-2-1-7(6-18)11(15)5-9/h1-5,19H.
What are the key properties of 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile?
4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile has a molecular weight of 343.56 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile is sourced from PubChem (CID 63512271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).