N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide

C19H15BrN4 — CID 4113054

IUPACN'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide
SMILESBrc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+
InChIKeyIILUTEUHHGMIPG-KSQZLRTGSA-N
MW379.26 g/mol
LogP6.01
Rot. Bonds4

About N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide

N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide (PubChem CID 4113054) has the molecular formula C19H15BrN4 and a molecular weight of 379.26 g/mol. Its IUPAC name is N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide
PubChem CID4113054
Molecular FormulaC19H15BrN4
Molecular Weight379.26 g/mol
Exact Mass378.05
IUPAC NameN'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide
SMILESBrc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+
InChIKeyIILUTEUHHGMIPG-KSQZLRTGSA-N
XLogP6.01
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Bromobenzaldehyde phenylhydrazone
CID 9602351
1,3,5-Triphenylformazan
CID 5463277
2,3,5-Triphenyltetrazole
CID 506591
Triphenylformazan
CID 5464164
2-[(E)-[4-[4-[(E)-[(2-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine;hydrochloride
CID 134145806
N'-(4-bromoanilino)-N-(2H-tetrazol-5-ylimino)benzenecarboximidamide
CID 135439902
Benzaldehyde, (p-bromophenyl)hydrazone
CID 9578426
N-[(E)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 118705987
Diazene, phenyl[phenyl(phenylhydrazono)methyl]-
CID 68274
N-[(4-bromophenyl)methylideneamino]aniline
CID 564223
4-bromo-N-[(E)-[4-[4-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
CID 146304254
3,5-Diphenyl-1-(o-tolyl)formazan
CID 5750805

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide (CID 4113054) is N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide is Brc1ccc(/N=N/C(=NNc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide?
The InChIKey is IILUTEUHHGMIPG-KSQZLRTGSA-N. The full InChI is InChI=1S/C19H15BrN4/c20-16-11-13-18(14-12-16)22-24-19(15-7-3-1-4-8-15)23-21-17-9-5-2-6-10-17/h1-14,21H/b23-19?,24-22+.
What are the key properties of N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide?
N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide has a molecular weight of 379.26 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-(4-bromophenyl)iminobenzenecarboximidamide is sourced from PubChem (CID 4113054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).