N'-(4-bromophenyl)benzenecarboximidamide

C13H11BrN2 — CID 2838838

IUPACN'-(4-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C13H11BrN2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16)
InChIKeyKISLNXLIXJPKKE-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.49
Rot. Bonds2

About N'-(4-bromophenyl)benzenecarboximidamide

N'-(4-bromophenyl)benzenecarboximidamide (PubChem CID 2838838) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is N'-(4-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)benzenecarboximidamide
PubChem CID2838838
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC NameN'-(4-bromophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C13H11BrN2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16)
InChIKeyKISLNXLIXJPKKE-UHFFFAOYSA-N
XLogP3.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.49
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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Related Compounds

N-Phenylbenzamidine
CID 200127
N-Benzylidene-4-bromoaniline
CID 262176
N-(4-bromophenyl)-1-phenylmethanimine oxide
CID 12301200
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
N-Benzylidene-3-bromoaniline
CID 525548
N-(4-Bromobenzylidene)aniline
CID 525674
4-methyl-N-phenylbenzenecarboximidamide
CID 341821
(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
2-amino-N'-phenylbenzenecarboximidamide
CID 397632
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
Benzamidine, N-(m-fluorophenyl)-
CID 210828
Benzenecarboximidamide, N-phenyl-, monohydriodide
CID 3049207

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-bromophenyl)benzenecarboximidamide (CID 2838838) is N'-(4-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromophenyl)benzenecarboximidamide is N/C(=N\c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N'-(4-bromophenyl)benzenecarboximidamide?
The InChIKey is KISLNXLIXJPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16).
What are the key properties of N'-(4-bromophenyl)benzenecarboximidamide?
N'-(4-bromophenyl)benzenecarboximidamide has a molecular weight of 275.15 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 2838838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).