2-(2-bromophenoxy)benzenecarboximidamide

C13H11BrN2O — CID 28601496

IUPAC2-(2-bromophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyDKNJNQGUVFIREA-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.53
Rot. Bonds3

About 2-(2-bromophenoxy)benzenecarboximidamide

2-(2-bromophenoxy)benzenecarboximidamide (PubChem CID 28601496) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)benzenecarboximidamide
PubChem CID28601496
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(2-bromophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16)
InChIKeyDKNJNQGUVFIREA-UHFFFAOYSA-N
XLogP3.53
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
2-(4-chloronaphthalen-1-yl)oxybenzenecarboximidamide
CID 43804671
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
CID 141195761
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)benzenecarboximidamide?
The IUPAC name of 2-(2-bromophenoxy)benzenecarboximidamide (CID 28601496) is 2-(2-bromophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(2-bromophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-(2-bromophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)benzenecarboximidamide?
The InChIKey is DKNJNQGUVFIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 2-(2-bromophenoxy)benzenecarboximidamide?
2-(2-bromophenoxy)benzenecarboximidamide has a molecular weight of 291.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)benzenecarboximidamide is sourced from PubChem (CID 28601496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).