2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile

C15H12BrClN2 — CID 107276025

IUPAC2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(C#N)c(Br)c1
InChIInChI=1S/C15H12BrClN2/c1-19(10-11-2-5-13(17)6-3-11)14-7-4-12(9-18)15(16)8-14/h2-8H,10H2,1H3
InChIKeyFFQZBHGECVWIGU-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.61
Rot. Bonds3

About 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile

2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile (PubChem CID 107276025) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile
PubChem CID107276025
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(C#N)c(Br)c1
InChIInChI=1S/C15H12BrClN2/c1-19(10-11-2-5-13(17)6-3-11)14-7-4-12(9-18)15(16)8-14/h2-8H,10H2,1H3
InChIKeyFFQZBHGECVWIGU-UHFFFAOYSA-N
XLogP4.61
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzonitrile
CID 107276024
2-[benzyl(methyl)amino]-4-chlorobenzonitrile
CID 55180617
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
2-chloro-4-[furan-3-ylmethyl(methyl)amino]benzonitrile
CID 55154145
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 62493898
4-[(4-bromothiophen-2-yl)methyl-methylamino]-2-chlorobenzonitrile
CID 63512149
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-bromo-4-[methyl(pentan-2-yl)amino]benzonitrile
CID 107275971
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
2-bromo-4-(N,2,4-trimethylanilino)benzonitrile
CID 107276246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile (CID 107276025) is 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile is CN(Cc1ccc(Cl)cc1)c1ccc(C#N)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is FFQZBHGECVWIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c1-19(10-11-2-5-13(17)6-3-11)14-7-4-12(9-18)15(16)8-14/h2-8H,10H2,1H3.
What are the key properties of 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile?
2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile has a molecular weight of 335.63 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-chlorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 107276025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).