4-(4-bromoanilino)-2,3-difluorobenzonitrile

C13H7BrF2N2 — CID 107933239

IUPAC4-(4-bromoanilino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C13H7BrF2N2/c14-9-2-4-10(5-3-9)18-11-6-1-8(7-17)12(15)13(11)16/h1-6,18H
InChIKeyYBBJGROFQQYXOX-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.34
Rot. Bonds2

About 4-(4-bromoanilino)-2,3-difluorobenzonitrile

4-(4-bromoanilino)-2,3-difluorobenzonitrile (PubChem CID 107933239) has the molecular formula C13H7BrF2N2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-(4-bromoanilino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(4-bromoanilino)-2,3-difluorobenzonitrile
PubChem CID107933239
Molecular FormulaC13H7BrF2N2
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name4-(4-bromoanilino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C13H7BrF2N2/c14-9-2-4-10(5-3-9)18-11-6-1-8(7-17)12(15)13(11)16/h1-6,18H
InChIKeyYBBJGROFQQYXOX-UHFFFAOYSA-N
XLogP4.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-(4-propan-2-ylanilino)benzonitrile
CID 107933203
4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
CID 107933329
4-(3-bromo-2-methylanilino)-2,3-difluorobenzonitrile
CID 107934305
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
CID 107533046
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
2-bromo-3-fluoro-4-(4-methoxyanilino)benzonitrile
CID 107532976
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-difluorobenzonitrile
CID 107933278
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
2-bromo-3-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 107533146
2-bromo-4-(4-butylanilino)-3-fluorobenzonitrile
CID 107533222
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoanilino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(4-bromoanilino)-2,3-difluorobenzonitrile (CID 107933239) is 4-(4-bromoanilino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(4-bromoanilino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(4-bromoanilino)-2,3-difluorobenzonitrile is N#Cc1ccc(Nc2ccc(Br)cc2)c(F)c1F.
What is the InChIKey of 4-(4-bromoanilino)-2,3-difluorobenzonitrile?
The InChIKey is YBBJGROFQQYXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2/c14-9-2-4-10(5-3-9)18-11-6-1-8(7-17)12(15)13(11)16/h1-6,18H.
What are the key properties of 4-(4-bromoanilino)-2,3-difluorobenzonitrile?
4-(4-bromoanilino)-2,3-difluorobenzonitrile has a molecular weight of 309.11 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoanilino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).