(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine

C16H14Br2N2 — CID 6369603

IUPAC(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine
SMILESBrC/C(=N\N=C(/CBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Br2N2/c17-11-15(13-7-3-1-4-8-13)19-20-16(12-18)14-9-5-2-6-10-14/h1-10H,11-12H2/b19-15+,20-16+
InChIKeyOKSVKMYYVXABJN-MXWIWYRXSA-N
MW394.11 g/mol
LogP4.67
Rot. Bonds5

About (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine

(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine (PubChem CID 6369603) has the molecular formula C16H14Br2N2 and a molecular weight of 394.11 g/mol. Its IUPAC name is (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine
PubChem CID6369603
Molecular FormulaC16H14Br2N2
Molecular Weight394.11 g/mol
Exact Mass391.95
IUPAC Name(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine
SMILESBrC/C(=N\N=C(/CBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Br2N2/c17-11-15(13-7-3-1-4-8-13)19-20-16(12-18)14-9-5-2-6-10-14/h1-10H,11-12H2/b19-15+,20-16+
InChIKeyOKSVKMYYVXABJN-MXWIWYRXSA-N
XLogP4.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine?
The IUPAC name of (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine (CID 6369603) is (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine.
What is the SMILES notation for (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine?
The canonical SMILES for (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine is BrC/C(=N\N=C(/CBr)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine?
The InChIKey is OKSVKMYYVXABJN-MXWIWYRXSA-N. The full InChI is InChI=1S/C16H14Br2N2/c17-11-15(13-7-3-1-4-8-13)19-20-16(12-18)14-9-5-2-6-10-14/h1-10H,11-12H2/b19-15+,20-16+.
What are the key properties of (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine?
(Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine has a molecular weight of 394.11 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-N-[(Z)-(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine is sourced from PubChem (CID 6369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).