2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

C16H14Cl2N2O3 — CID 135476499

IUPAC2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-15-8-12(21)4-3-11(15)9-19-20-16(22)7-10-2-5-13(17)14(18)6-10/h2-6,8-9,21H,7H2,1H3,(H,20,22)/b19-9+
InChIKeyAWDAXOIWBTUMHC-DJKKODMXSA-N
MW353.21 g/mol
LogP3.40
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135476499) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID135476499
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3/c1-23-15-8-12(21)4-3-11(15)9-19-20-16(22)7-10-2-5-13(17)14(18)6-10/h2-6,8-9,21H,7H2,1H3,(H,20,22)/b19-9+
InChIKeyAWDAXOIWBTUMHC-DJKKODMXSA-N
XLogP3.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.40
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-chlorophenyl)-N'-[4-methoxy-3-(methoxymethyl)benzylidene]acetohydrazide
CID 5412053
4-chloro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 136062134
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 136167970
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136184459
2-[(E)-[(3,4-dichlorophenyl)methylhydrazinylidene]methyl]-5-ethoxyphenol
CID 137316385
2-(3,5-difluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135436588
2-(3-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135476466
2-(2-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135502649
2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135508421
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 135513129
2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 135519338
2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 136631842

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (CID 135476499) is 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is COc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is AWDAXOIWBTUMHC-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-15-8-12(21)4-3-11(15)9-19-20-16(22)7-10-2-5-13(17)14(18)6-10/h2-6,8-9,21H,7H2,1H3,(H,20,22)/b19-9+.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 353.21 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135476499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).