2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

C20H22ClN3O3 — CID 9255870

IUPAC2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1Cl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-15(16-6-8-17(9-7-16)24-10-12-26-13-11-24)22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,23,25)/b22-15-
InChIKeyUTSAIXHLPYYQPR-JCMHNJIXSA-N
MW387.87 g/mol
LogP3.10
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (PubChem CID 9255870) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
PubChem CID9255870
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1Cl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-15(16-6-8-17(9-7-16)24-10-12-26-13-11-24)22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,23,25)/b22-15-
InChIKeyUTSAIXHLPYYQPR-JCMHNJIXSA-N
XLogP3.10
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 ≤ 53.10
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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6014462
2-(5-methyl-2-propan-2-ylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 4119002
2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 7966124
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 7965570
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(1-methylpyrrol-2-yl)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6076209
2,5-dichloro-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6249278

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (CID 9255870) is 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccccc1Cl)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The InChIKey is UTSAIXHLPYYQPR-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-15(16-6-8-17(9-7-16)24-10-12-26-13-11-24)22-23-20(25)14-27-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,23,25)/b22-15-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.10, 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-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).