N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide

C23H27Cl2N3 — CID 143537096

IUPACN'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide
SMILESCCC(CC)(/C(N)=N/C(=C(\N)c1ccccc1Cl)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27Cl2N3/c1-3-23(4-2,16-11-13-17(24)14-12-16)22(27)28-21(15-9-10-15)20(26)18-7-5-6-8-19(18)25/h5-8,11-15H,3-4,9-10,26H2,1-2H3,(H2,27,28)/b21-20-
InChIKeyYPTVPBJACQCHOT-MRCUWXFGSA-N
MW416.40 g/mol
LogP6.15
Rot. Bonds7

About N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide

N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide (PubChem CID 143537096) has the molecular formula C23H27Cl2N3 and a molecular weight of 416.40 g/mol. Its IUPAC name is N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide
PubChem CID143537096
Molecular FormulaC23H27Cl2N3
Molecular Weight416.40 g/mol
Exact Mass415.16
IUPAC NameN'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide
SMILESCCC(CC)(/C(N)=N/C(=C(\N)c1ccccc1Cl)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27Cl2N3/c1-3-23(4-2,16-11-13-17(24)14-12-16)22(27)28-21(15-9-10-15)20(26)18-7-5-6-8-19(18)25/h5-8,11-15H,3-4,9-10,26H2,1-2H3,(H2,27,28)/b21-20-
InChIKeyYPTVPBJACQCHOT-MRCUWXFGSA-N
XLogP6.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 56.15
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide?
The IUPAC name of N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide (CID 143537096) is N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide is CCC(CC)(/C(N)=N/C(=C(\N)c1ccccc1Cl)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide?
The InChIKey is YPTVPBJACQCHOT-MRCUWXFGSA-N. The full InChI is InChI=1S/C23H27Cl2N3/c1-3-23(4-2,16-11-13-17(24)14-12-16)22(27)28-21(15-9-10-15)20(26)18-7-5-6-8-19(18)25/h5-8,11-15H,3-4,9-10,26H2,1-2H3,(H2,27,28)/b21-20-.
What are the key properties of N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide?
N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide has a molecular weight of 416.40 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-2-(2-chlorophenyl)-1-cyclopropylethenyl]-2-(4-chlorophenyl)-2-ethylbutanimidamide is sourced from PubChem (CID 143537096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).