2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide

C19H19Cl2N3O2 — CID 126114950

IUPAC2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13-10-16(24-6-8-26-9-7-24)4-2-14(13)12-22-23-19(25)17-5-3-15(20)11-18(17)21/h2-5,10-12H,6-9H2,1H3,(H,23,25)/b22-12-
InChIKeyXSVSOIDEKFILOR-UUYOSTAYSA-N
MW392.29 g/mol
LogP3.90
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 126114950) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID126114950
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13-10-16(24-6-8-26-9-7-24)4-2-14(13)12-22-23-19(25)17-5-3-15(20)11-18(17)21/h2-5,10-12H,6-9H2,1H3,(H,23,25)/b22-12-
InChIKeyXSVSOIDEKFILOR-UUYOSTAYSA-N
XLogP3.90
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(Z)-(2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
CID 5426050
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126072075
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 126103952
2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126109238
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
2,5-dichloro-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6249278

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 126114950) is 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide is Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is XSVSOIDEKFILOR-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-13-10-16(24-6-8-26-9-7-24)4-2-14(13)12-22-23-19(25)17-5-3-15(20)11-18(17)21/h2-5,10-12H,6-9H2,1H3,(H,23,25)/b22-12-.
What are the key properties of 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 392.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).