About N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide
N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide (PubChem CID 143537084) has the molecular formula C22H25Cl2N3O
and a molecular weight of 418.37 g/mol. Its IUPAC name is N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide.
Molecular Properties
| Compound Name | N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide |
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| PubChem CID | 143537084 |
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| Molecular Formula | C22H25Cl2N3O |
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| Molecular Weight | 418.37 g/mol |
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| Exact Mass | 417.14 |
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| IUPAC Name | N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide |
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| SMILES | COCCCC(/N=C(\N)C1(c2ccc(Cl)cc2)CC1)=C(/N)c1ccccc1Cl |
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| InChI | InChI=1S/C22H25Cl2N3O/c1-28-14-4-7-19(20(25)17-5-2-3-6-18(17)24)27-21(26)22(12-13-22)15-8-10-16(23)11-9-15/h2-3,5-6,8-11H,4,7,12-14,25H2,1H3,(H2,26,27)/b20-19- |
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| InChIKey | UQOBHAGFFBTXRE-VXPUYCOJSA-N |
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| XLogP | 5.14 |
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| TPSA | 73.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 418.37 |
| LogP ≤ 5 | 5.14 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide (CID 143537084) is N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide is COCCCC(/N=C(\N)C1(c2ccc(Cl)cc2)CC1)=C(/N)c1ccccc1Cl.
What is the InChIKey of N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide?
The InChIKey is UQOBHAGFFBTXRE-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-28-14-4-7-19(20(25)17-5-2-3-6-18(17)24)27-21(26)22(12-13-22)15-8-10-16(23)11-9-15/h2-3,5-6,8-11H,4,7,12-14,25H2,1H3,(H2,26,27)/b20-19-.
What are the key properties of N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide?
N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide has a molecular weight of 418.37 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-amino-1-(2-chlorophenyl)-5-methoxypent-1-en-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 143537084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).