N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide

C14H12Br2N4 — CID 145320923

IUPACN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H12Br2N4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyROMFLTIGLDOABX-UHFFFAOYSA-N
MW396.09 g/mol
LogP3.24
Rot. Bonds3

About N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide

N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide (PubChem CID 145320923) has the molecular formula C14H12Br2N4 and a molecular weight of 396.09 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
PubChem CID145320923
Molecular FormulaC14H12Br2N4
Molecular Weight396.09 g/mol
Exact Mass393.94
IUPAC NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H12Br2N4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyROMFLTIGLDOABX-UHFFFAOYSA-N
XLogP3.24
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 53.24
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-hydrazinylbenzenecarboximidamide
CID 130383034
2-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 63181654
2-bromobenzamide;hydrochloride
CID 68911907
1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene
CID 87377327
N'-[(Z)-[amino-(2-bromo-6-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
CID 129204019
1-bromo-2-(1-bromoethenyl)benzene
CID 87294952
3-bromo-N'-hydroxy-2-methylbenzenecarboximidamide
CID 86664480
2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
CID 123413411
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-methylbenzenecarboximidamide
CID 129205409
N'-[(Z)-[amino(phenyl)methylidene]amino]-2-bromo-6-fluorobenzenecarboximidamide
CID 129203988
2-bromo-N'-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methoxy]benzenecarboximidamide
CID 166253645

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide (CID 145320923) is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide is N/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide?
The InChIKey is ROMFLTIGLDOABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20).
What are the key properties of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide?
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide has a molecular weight of 396.09 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide is sourced from PubChem (CID 145320923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).