2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide

C14H12BrFN2 — CID 154719421

IUPAC2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/Nc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H12BrFN2/c1-17-14(10-6-2-3-7-11(10)15)18-13-9-5-4-8-12(13)16/h2-9H,1H3,(H,17,18)
InChIKeyFSGRXTQOZXWKSD-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.08
Rot. Bonds2

About 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide

2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide (PubChem CID 154719421) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide
PubChem CID154719421
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC Name2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/Nc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C14H12BrFN2/c1-17-14(10-6-2-3-7-11(10)15)18-13-9-5-4-8-12(13)16/h2-9H,1H3,(H,17,18)
InChIKeyFSGRXTQOZXWKSD-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide (CID 154719421) is 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide is C/N=C(/Nc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide?
The InChIKey is FSGRXTQOZXWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-17-14(10-6-2-3-7-11(10)15)18-13-9-5-4-8-12(13)16/h2-9H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide?
2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide has a molecular weight of 307.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 154719421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).