2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide

C16H15ClN2O3 — CID 6062096

IUPAC2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C16H15ClN2O3/c1-11(12-3-2-4-14(20)9-12)18-19-16(21)10-22-15-7-5-13(17)6-8-15/h2-9,20H,10H2,1H3,(H,19,21)/b18-11-
InChIKeyNIBYYUMBGBHFRG-WQRHYEAKSA-N
MW318.76 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 6062096) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID6062096
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1)c1cccc(O)c1
InChIInChI=1S/C16H15ClN2O3/c1-11(12-3-2-4-14(20)9-12)18-19-16(21)10-22-15-7-5-13(17)6-8-15/h2-9,20H,10H2,1H3,(H,19,21)/b18-11-
InChIKeyNIBYYUMBGBHFRG-WQRHYEAKSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
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

ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 54777648
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide (CID 6062096) is 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Cl)cc1)c1cccc(O)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is NIBYYUMBGBHFRG-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(12-3-2-4-14(20)9-12)18-19-16(21)10-22-15-7-5-13(17)6-8-15/h2-9,20H,10H2,1H3,(H,19,21)/b18-11-.
What are the key properties of 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 318.76 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6062096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).