2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile

C14H10BrFN2 — CID 107275835

IUPAC2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2F)cc1Br
InChIInChI=1S/C14H10BrFN2/c15-13-7-12(6-5-10(13)8-17)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2
InChIKeyPFEHIQPNVCPPCO-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.07
Rot. Bonds3

About 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile

2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile (PubChem CID 107275835) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
PubChem CID107275835
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccccc2F)cc1Br
InChIInChI=1S/C14H10BrFN2/c15-13-7-12(6-5-10(13)8-17)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2
InChIKeyPFEHIQPNVCPPCO-UHFFFAOYSA-N
XLogP4.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(3-amino-2-methylphenyl)methylamino]-2-bromobenzonitrile
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4-bromo-N-[(2-fluorophenyl)methyl]-3-nitroaniline
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2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile (CID 107275835) is 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile is N#Cc1ccc(NCc2ccccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile?
The InChIKey is PFEHIQPNVCPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-13-7-12(6-5-10(13)8-17)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2.
What are the key properties of 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile?
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile has a molecular weight of 305.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 107275835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).