3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide

C15H13BrN2 — CID 141318088

IUPAC3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C=Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H13BrN2/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17)18/h1-10H,(H3,17,18)
InChIKeyDVXPLCRLCAPXFV-UHFFFAOYSA-N
MW301.19 g/mol
LogP3.90
Rot. Bonds3

About 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide

3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide (PubChem CID 141318088) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
PubChem CID141318088
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C=Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H13BrN2/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17)18/h1-10H,(H3,17,18)
InChIKeyDVXPLCRLCAPXFV-UHFFFAOYSA-N
XLogP3.90
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-carbamimidoylphenyl)prop-2-enoic acid
CID 119091443
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553
3-(4-oxobut-1-enyl)benzenecarboximidamide
CID 170481809
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
4-(3-carbamimidoylphenyl)but-3-enoic acid
CID 170483511
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
3-sulfanylbenzenecarboximidamide
CID 69159686
3-[(E)-[(3E)-3-[(3-carbamimidoylphenyl)methylidene]-2-oxocycloheptylidene]methyl]benzenecarboximidamide
CID 10833102
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide (CID 141318088) is 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C=Cc2cccc(Br)c2)c1.
What is the InChIKey of 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide?
The InChIKey is DVXPLCRLCAPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)15(17)18/h1-10H,(H3,17,18).
What are the key properties of 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide?
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide has a molecular weight of 301.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 141318088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).