N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H15Cl2N3O3 — CID 137077970

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H15Cl2N3O3/c14-10-5-9(13(20)11(15)6-10)7-16-17-12(19)8-18-1-3-21-4-2-18/h5-7,20H,1-4,8H2,(H,17,19)/b16-7-
InChIKeyPJPZTRVHRVOUFK-APSNUPSMSA-N
MW332.19 g/mol
LogP1.48
Rot. Bonds4

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 137077970) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID137077970
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H15Cl2N3O3/c14-10-5-9(13(20)11(15)6-10)7-16-17-12(19)8-18-1-3-21-4-2-18/h5-7,20H,1-4,8H2,(H,17,19)/b16-7-
InChIKeyPJPZTRVHRVOUFK-APSNUPSMSA-N
XLogP1.48
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
CID 126007489
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135731420
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137121122
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 137077970) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is PJPZTRVHRVOUFK-APSNUPSMSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c14-10-5-9(13(20)11(15)6-10)7-16-17-12(19)8-18-1-3-21-4-2-18/h5-7,20H,1-4,8H2,(H,17,19)/b16-7-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 332.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 137077970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).