4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile

C15H11BrF2N2 — CID 81283184

IUPAC4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
SMILESCN(Cc1ccccc1Br)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H11BrF2N2/c1-20(9-11-4-2-3-5-12(11)16)15-13(17)6-10(8-19)7-14(15)18/h2-7H,9H2,1H3
InChIKeyHJRDDJHUAWMSIK-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.24
Rot. Bonds3

About 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile

4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile (PubChem CID 81283184) has the molecular formula C15H11BrF2N2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
PubChem CID81283184
Molecular FormulaC15H11BrF2N2
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
SMILESCN(Cc1ccccc1Br)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H11BrF2N2/c1-20(9-11-4-2-3-5-12(11)16)15-13(17)6-10(8-19)7-14(15)18/h2-7H,9H2,1H3
InChIKeyHJRDDJHUAWMSIK-UHFFFAOYSA-N
XLogP4.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
CID 63077747
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
3,5-difluoro-4-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 71996789
3,5-difluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzonitrile
CID 78988459
3,5-difluoro-4-[methyl(pyrazin-2-ylmethyl)amino]benzonitrile
CID 133449033
4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
CID 81294307
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
N-[(2-bromophenyl)methyl]-2-(4-cyano-2-fluoro-N-methylanilino)-N-(5-methyl-3-pyridinyl)acetamide
CID 146146012
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
2-[(2-bromophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299774

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile (CID 81283184) is 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile is CN(Cc1ccccc1Br)c1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile?
The InChIKey is HJRDDJHUAWMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2/c1-20(9-11-4-2-3-5-12(11)16)15-13(17)6-10(8-19)7-14(15)18/h2-7H,9H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile?
4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile has a molecular weight of 337.17 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).