2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

C16H15ClN2O4 — CID 135717520

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9+
InChIKeyKDXTXUKYCIRJIQ-GIJQJNRQSA-N
MW334.76 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (PubChem CID 135717520) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
PubChem CID135717520
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9+
InChIKeyKDXTXUKYCIRJIQ-GIJQJNRQSA-N
XLogP2.67
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CID 9556542
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9722010
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 71462598
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 135519934
2-(4-chloro-2-methylphenoxy)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CID 6870687
2-(4-chloro-2-methylphenoxy)-N'-(2-(trifluoromethoxy)benzylidene)acetohydrazide
CID 153465091
2-(2,4-Dichlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135641762
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135550888
N'-Benzylidene-2-(4-chlorophenoxy)acetohydrazide
CID 6870875
2-(4-Chlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135400477
N'-(2-(Allyloxy)benzylidene)-2-(4-chlorophenoxy)acetohydrazide
CID 5334770
N'-(4-Chlorobenzylidene)-2-(4-propylphenoxy)acetohydrazide
CID 5410624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (CID 135717520) is 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The InChIKey is KDXTXUKYCIRJIQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10(23-14-6-3-12(17)4-7-14)16(22)19-18-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,19,22)/b18-9+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide has a molecular weight of 334.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135717520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).