2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C15H13ClN2O3 — CID 135400477

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H13ClN2O3/c16-12-5-7-13(8-6-12)21-10-15(20)18-17-9-11-3-1-2-4-14(11)19/h1-9,19H,10H2,(H,18,20)/b17-9+
InChIKeyQIGWJWKJTCAFTM-RQZCQDPDSA-N
MW304.73 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135400477) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135400477
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H13ClN2O3/c16-12-5-7-13(8-6-12)21-10-15(20)18-17-9-11-3-1-2-4-14(11)19/h1-9,19H,10H2,(H,18,20)/b17-9+
InChIKeyQIGWJWKJTCAFTM-RQZCQDPDSA-N
XLogP2.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-Chloro-2-methylphenoxy)-N'-(2-methoxybenzylidene)acetohydrazide
CID 9556542
(E)-4-(2,4-dichlorophenoxy)-N'-(2-hydroxybenzylidene)butanehydrazide
CID 135497925
2-(4-chloro-2-methylphenoxy)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CID 6870687
2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9651715
2-(4-chloro-2-methylphenoxy)-N'-(2-(trifluoromethoxy)benzylidene)acetohydrazide
CID 153465091
2-(4-chloro-2-methylphenoxy)-N-[(E)-1-[2-(trifluoromethoxy)phenyl]ethylideneamino]acetamide
CID 153465093
N'-(5-Bromo-2-hydroxybenzylidene)-2-(4-chlorophenoxy)acetohydrazide
CID 135614481
2-(2,4-Dichlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135641762
N'-Benzylidene-2-phenoxyacetohydrazide
CID 9556568
[2-({[(2,4-Dichlorophenoxy)acetyl]hydrazono}methyl)phenoxy]acetic acid
CID 5333629
2-(2-allylphenoxy)-N'-(2-ethoxybenzylidene)acetohydrazide
CID 6876587
2-(4-Chloro-2-methylphenoxy)-N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]acetohydrazide
CID 9608726

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135400477) is 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is QIGWJWKJTCAFTM-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-5-7-13(8-6-12)21-10-15(20)18-17-9-11-3-1-2-4-14(11)19/h1-9,19H,10H2,(H,18,20)/b17-9+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 304.73 g/mol, XLogP of 2.57, 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-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135400477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).