2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide

C20H22ClN3O3 — CID 126074360

IUPAC2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-15-12-17(24-8-10-26-11-9-24)7-6-16(15)13-22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b22-13+
InChIKeyFETDXKGUKFFOFF-LPYMAVHISA-N
MW387.87 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide (PubChem CID 126074360) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
PubChem CID126074360
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-15-12-17(24-8-10-26-11-9-24)7-6-16(15)13-22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b22-13+
InChIKeyFETDXKGUKFFOFF-LPYMAVHISA-N
XLogP3.01
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126109238
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
2-(2-methoxyphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 7965556
2,4-dichloro-N-[(Z)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126114950
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
2-(2-chlorophenoxy)-N-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126002607
2-(2-chlorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31288745
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126072075
2-(2-chlorophenoxy)-N-[(Z)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126002531
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide (CID 126074360) is 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide is Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The InChIKey is FETDXKGUKFFOFF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-15-12-17(24-8-10-26-11-9-24)7-6-16(15)13-22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-7,12-13H,8-11,14H2,1H3,(H,23,25)/b22-13+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126074360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).