2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide

C17H17ClN2O3 — CID 3659742

IUPAC2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22)
InChIKeyZCQQLTWPNGOGMX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.35
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide

2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide (PubChem CID 3659742) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
PubChem CID3659742
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22)
InChIKeyZCQQLTWPNGOGMX-UHFFFAOYSA-N
XLogP3.35
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6018865
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide (CID 3659742) is 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide is CCC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide?
The InChIKey is ZCQQLTWPNGOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 3659742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).