5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile

C14H9Br2FN2 — CID 82707599

IUPAC5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H9Br2FN2/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(17)2-3-13(10)16/h1-6,19H,8H2
InChIKeyHJDIUDJGYGZSCH-UHFFFAOYSA-N
MW384.05 g/mol
LogP4.83
Rot. Bonds3

About 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile

5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile (PubChem CID 82707599) has the molecular formula C14H9Br2FN2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile
PubChem CID82707599
Molecular FormulaC14H9Br2FN2
Molecular Weight384.05 g/mol
Exact Mass381.91
IUPAC Name5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H9Br2FN2/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(17)2-3-13(10)16/h1-6,19H,8H2
InChIKeyHJDIUDJGYGZSCH-UHFFFAOYSA-N
XLogP4.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.05
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dibromoanilino)methyl]-4-fluorobenzonitrile
CID 107904052
2-[(4-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760980
2-[(2-bromo-5-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62307264
2-[(2-bromo-5-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 103761123
5-bromo-2-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 82707559
4-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 54902973
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
2-[(3-amino-2-methylphenyl)methylamino]-5-bromobenzonitrile
CID 103111157
3-[(2,4-dibromoanilino)methyl]-2-fluorobenzonitrile
CID 107114487
3-[(2-bromo-4-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile (CID 82707599) is 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile is N#Cc1cc(Br)ccc1NCc1cc(F)ccc1Br.
What is the InChIKey of 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile?
The InChIKey is HJDIUDJGYGZSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2/c15-11-1-4-14(9(5-11)7-18)19-8-10-6-12(17)2-3-13(10)16/h1-6,19H,8H2.
What are the key properties of 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile?
5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile has a molecular weight of 384.05 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 82707599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).