2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine

C17H17ClN4O — CID 52941626

IUPAC2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine
SMILESCOc1ccc(C(/C=C/c2ccccc2Cl)=N\N=C(N)N)cc1
InChIInChI=1S/C17H17ClN4O/c1-23-14-9-6-13(7-10-14)16(21-22-17(19)20)11-8-12-4-2-3-5-15(12)18/h2-11H,1H3,(H4,19,20,22)/b11-8+,21-16-
InChIKeyWJMNBFWYQNQQBU-MAPNBITDSA-N
MW328.80 g/mol
LogP3.04
Rot. Bonds5

About 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine (PubChem CID 52941626) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine
PubChem CID52941626
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine
SMILESCOc1ccc(C(/C=C/c2ccccc2Cl)=N\N=C(N)N)cc1
InChIInChI=1S/C17H17ClN4O/c1-23-14-9-6-13(7-10-14)16(21-22-17(19)20)11-8-12-4-2-3-5-15(12)18/h2-11H,1H3,(H4,19,20,22)/b11-8+,21-16-
InChIKeyWJMNBFWYQNQQBU-MAPNBITDSA-N
XLogP3.04
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine (CID 52941626) is 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine is COc1ccc(C(/C=C/c2ccccc2Cl)=N\N=C(N)N)cc1.
What is the InChIKey of 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine?
The InChIKey is WJMNBFWYQNQQBU-MAPNBITDSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-23-14-9-6-13(7-10-14)16(21-22-17(19)20)11-8-12-4-2-3-5-15(12)18/h2-11H,1H3,(H4,19,20,22)/b11-8+,21-16-.
What are the key properties of 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine has a molecular weight of 328.80 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-(2-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52941626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).