5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile

C14H9BrF2N2O — CID 114890442

IUPAC5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
SMILESN#Cc1cc(Br)ccc1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H9BrF2N2O/c15-10-5-6-11(9(7-10)8-18)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H
InChIKeyPCDDTKRYMGLZFD-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.67
Rot. Bonds4

About 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile

5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile (PubChem CID 114890442) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
PubChem CID114890442
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
SMILESN#Cc1cc(Br)ccc1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H9BrF2N2O/c15-10-5-6-11(9(7-10)8-18)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H
InChIKeyPCDDTKRYMGLZFD-UHFFFAOYSA-N
XLogP4.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094
5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
3-[2-(difluoromethoxy)anilino]benzonitrile
CID 102815274
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
CID 43329050
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
2-(2-amino-5-bromoanilino)-5-fluorobenzonitrile
CID 82014339
6-bromo-N-[2-(difluoromethoxy)phenyl]-1,3-benzothiazol-2-amine
CID 79524981
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
CID 104531433
5-bromo-2-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414235
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile?
The IUPAC name of 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile (CID 114890442) is 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile?
The canonical SMILES for 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile is N#Cc1cc(Br)ccc1Nc1ccccc1OC(F)F.
What is the InChIKey of 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile?
The InChIKey is PCDDTKRYMGLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c15-10-5-6-11(9(7-10)8-18)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H.
What are the key properties of 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile?
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile has a molecular weight of 339.14 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile is sourced from PubChem (CID 114890442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).