2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile

C15H12BrFN2 — CID 63669211

IUPAC2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile
SMILESCN(Cc1ccccc1Br)c1ccc(F)cc1C#N
InChIInChI=1S/C15H12BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,10H2,1H3
InChIKeyRXQBMHKVYBZNMD-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.10
Rot. Bonds3

About 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile

2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile (PubChem CID 63669211) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile
PubChem CID63669211
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile
SMILESCN(Cc1ccccc1Br)c1ccc(F)cc1C#N
InChIInChI=1S/C15H12BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,10H2,1H3
InChIKeyRXQBMHKVYBZNMD-UHFFFAOYSA-N
XLogP4.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile (CID 63669211) is 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile is CN(Cc1ccccc1Br)c1ccc(F)cc1C#N.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile?
The InChIKey is RXQBMHKVYBZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile?
2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile has a molecular weight of 319.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 63669211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).