4-(4-bromophenyl)benzenecarboximidamide

C13H11BrN2 — CID 15564128

IUPAC4-(4-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H3,15,16)
InChIKeyYAGPMUKCWZSPAJ-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.40
Rot. Bonds2

About 4-(4-bromophenyl)benzenecarboximidamide

4-(4-bromophenyl)benzenecarboximidamide (PubChem CID 15564128) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromophenyl)benzenecarboximidamide
PubChem CID15564128
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name4-(4-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H3,15,16)
InChIKeyYAGPMUKCWZSPAJ-UHFFFAOYSA-N
XLogP3.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.40
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'}

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Related Compounds

ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
4-(4,5-dibromothiophen-2-yl)benzenecarboximidamide;hydrochloride
CID 42614722
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
4-prop-2-enylbenzenecarboximidamide
CID 67813760

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)benzenecarboximidamide?
The IUPAC name of 4-(4-bromophenyl)benzenecarboximidamide (CID 15564128) is 4-(4-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-bromophenyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-bromophenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)benzenecarboximidamide?
The InChIKey is YAGPMUKCWZSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 4-(4-bromophenyl)benzenecarboximidamide?
4-(4-bromophenyl)benzenecarboximidamide has a molecular weight of 275.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 15564128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).