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

C14H12BrClN4 — CID 129203887

IUPACN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN4/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)
InChIKeyRNTKSBOOFGMIIU-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.13
Rot. Bonds3

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

N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide (PubChem CID 129203887) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide
PubChem CID129203887
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H12BrClN4/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)
InChIKeyRNTKSBOOFGMIIU-UHFFFAOYSA-N
XLogP3.13
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide (CID 129203887) is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide is N/C(=N\N=C(/N)c1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide?
The InChIKey is RNTKSBOOFGMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/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-chlorobenzenecarboximidamide?
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chlorobenzenecarboximidamide has a molecular weight of 351.64 g/mol, XLogP of 3.13, 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-chlorobenzenecarboximidamide is sourced from PubChem (CID 129203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).