(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide

C18H18Cl2N4O3 — CID 78766801

IUPAC(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
SMILESN/C(CC(=O)Nc1ccccc1Cl)=N/OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N4O3/c19-13-7-5-12(6-8-13)10-22-18(26)11-27-24-16(21)9-17(25)23-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyAZIGRAVFXWHWHB-UHFFFAOYSA-N
MW409.27 g/mol
LogP2.93
Rot. Bonds8

About (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide

(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide (PubChem CID 78766801) has the molecular formula C18H18Cl2N4O3 and a molecular weight of 409.27 g/mol. Its IUPAC name is (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide.

Molecular Properties

Compound Name(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
PubChem CID78766801
Molecular FormulaC18H18Cl2N4O3
Molecular Weight409.27 g/mol
Exact Mass408.08
IUPAC Name(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
SMILESN/C(CC(=O)Nc1ccccc1Cl)=N/OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N4O3/c19-13-7-5-12(6-8-13)10-22-18(26)11-27-24-16(21)9-17(25)23-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyAZIGRAVFXWHWHB-UHFFFAOYSA-N
XLogP2.93
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
(3E)-3-amino-N-(2-chlorophenyl)-3-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]oxyiminopropanamide
CID 78820528
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
CID 75264209

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide?
The IUPAC name of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide (CID 78766801) is (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide.
What is the SMILES notation for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide?
The canonical SMILES for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide is N/C(CC(=O)Nc1ccccc1Cl)=N/OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide?
The InChIKey is AZIGRAVFXWHWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O3/c19-13-7-5-12(6-8-13)10-22-18(26)11-27-24-16(21)9-17(25)23-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide?
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide has a molecular weight of 409.27 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide is sourced from PubChem (CID 78766801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).