2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine

C16H15BrN4 — CID 52950037

IUPAC2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrN4/c17-14-9-6-12(7-10-14)8-11-15(20-21-16(18)19)13-4-2-1-3-5-13/h1-11H,(H4,18,19,21)/b11-8+,20-15-
InChIKeyZRSNGUPOHVQLED-OWBXZZSYSA-N
MW343.23 g/mol
LogP3.14
Rot. Bonds4

About 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine (PubChem CID 52950037) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
PubChem CID52950037
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H15BrN4/c17-14-9-6-12(7-10-14)8-11-15(20-21-16(18)19)13-4-2-1-3-5-13/h1-11H,(H4,18,19,21)/b11-8+,20-15-
InChIKeyZRSNGUPOHVQLED-OWBXZZSYSA-N
XLogP3.14
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.14
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 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine (CID 52950037) is 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is ZRSNGUPOHVQLED-OWBXZZSYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-14-9-6-12(7-10-14)8-11-15(20-21-16(18)19)13-4-2-1-3-5-13/h1-11H,(H4,18,19,21)/b11-8+,20-15-.
What are the key properties of 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 343.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52950037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).