N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide

C13H16Cl2N3O2+ — CID 7452279

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-11-2-1-10(12(15)7-11)8-16-17-13(19)9-18-3-5-20-6-4-18/h1-2,7-8H,3-6,9H2,(H,17,19)/p+1/b16-8-
InChIKeyDYAWAUVEQHNORA-PXNMLYILSA-O
MW317.20 g/mol
LogP0.36
Rot. Bonds4

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7452279) has the molecular formula C13H16Cl2N3O2+ and a molecular weight of 317.20 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
PubChem CID7452279
Molecular FormulaC13H16Cl2N3O2+
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-11-2-1-10(12(15)7-11)8-16-17-13(19)9-18-3-5-20-6-4-18/h1-2,7-8H,3-6,9H2,(H,17,19)/p+1/b16-8-
InChIKeyDYAWAUVEQHNORA-PXNMLYILSA-O
XLogP0.36
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide (CID 7452279) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is DYAWAUVEQHNORA-PXNMLYILSA-O. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-11-2-1-10(12(15)7-11)8-16-17-13(19)9-18-3-5-20-6-4-18/h1-2,7-8H,3-6,9H2,(H,17,19)/p+1/b16-8-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 317.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7452279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).