2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide

C17H16ClIN2O4 — CID 136663488

IUPAC2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1cc(I)cc(/C=N\NC(=O)COc2ccccc2Cl)c1O
InChIInChI=1S/C17H16ClIN2O4/c1-2-24-15-8-12(19)7-11(17(15)23)9-20-21-16(22)10-25-14-6-4-3-5-13(14)18/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9-
InChIKeyFACFJWQMNTZRTL-UKWGHVSLSA-N
MW474.68 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide (PubChem CID 136663488) has the molecular formula C17H16ClIN2O4 and a molecular weight of 474.68 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
PubChem CID136663488
Molecular FormulaC17H16ClIN2O4
Molecular Weight474.68 g/mol
Exact Mass473.98
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
SMILESCCOc1cc(I)cc(/C=N\NC(=O)COc2ccccc2Cl)c1O
InChIInChI=1S/C17H16ClIN2O4/c1-2-24-15-8-12(19)7-11(17(15)23)9-20-21-16(22)10-25-14-6-4-3-5-13(14)18/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9-
InChIKeyFACFJWQMNTZRTL-UKWGHVSLSA-N
XLogP3.58
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135472355
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884091
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 136695896
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884089
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
2-(2-chlorophenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560550
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide (CID 136663488) is 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide is CCOc1cc(I)cc(/C=N\NC(=O)COc2ccccc2Cl)c1O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
The InChIKey is FACFJWQMNTZRTL-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16ClIN2O4/c1-2-24-15-8-12(19)7-11(17(15)23)9-20-21-16(22)10-25-14-6-4-3-5-13(14)18/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide has a molecular weight of 474.68 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 136663488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).