2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

C16H14ClFN2O3 — CID 135508421

IUPAC2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFN2O3/c1-23-15-8-13(21)5-3-11(15)9-19-20-16(22)6-10-2-4-12(18)7-14(10)17/h2-5,7-9,21H,6H2,1H3,(H,20,22)/b19-9+
InChIKeyAJBUIOIYFYTTGT-DJKKODMXSA-N
MW336.75 g/mol
LogP2.89
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135508421) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID135508421
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFN2O3/c1-23-15-8-13(21)5-3-11(15)9-19-20-16(22)6-10-2-4-12(18)7-14(10)17/h2-5,7-9,21H,6H2,1H3,(H,20,22)/b19-9+
InChIKeyAJBUIOIYFYTTGT-DJKKODMXSA-N
XLogP2.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (CID 135508421) is 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is COc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is AJBUIOIYFYTTGT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-23-15-8-13(21)5-3-11(15)9-19-20-16(22)6-10-2-4-12(18)7-14(10)17/h2-5,7-9,21H,6H2,1H3,(H,20,22)/b19-9+.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 336.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135508421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).