2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide

C16H13Cl2IN2O3 — CID 3097765

IUPAC2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)COc1ccc(Cl)cc1I
InChIInChI=1S/C16H13Cl2IN2O3/c1-23-14-4-2-11(17)6-10(14)8-20-21-16(22)9-24-15-5-3-12(18)7-13(15)19/h2-8H,9H2,1H3,(H,21,22)
InChIKeyNDEGWQINLAQYIB-UHFFFAOYSA-N
MW479.10 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide

2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 3097765) has the molecular formula C16H13Cl2IN2O3 and a molecular weight of 479.10 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID3097765
Molecular FormulaC16H13Cl2IN2O3
Molecular Weight479.10 g/mol
Exact Mass477.93
IUPAC Name2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)COc1ccc(Cl)cc1I
InChIInChI=1S/C16H13Cl2IN2O3/c1-23-14-4-2-11(17)6-10(14)8-20-21-16(22)9-24-15-5-3-12(18)7-13(15)19/h2-8H,9H2,1H3,(H,21,22)
InChIKeyNDEGWQINLAQYIB-UHFFFAOYSA-N
XLogP4.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.10
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3840478
2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5447436
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4175101
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide (CID 3097765) is 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(Cl)cc1C=NNC(=O)COc1ccc(Cl)cc1I.
What is the InChIKey of 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is NDEGWQINLAQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2IN2O3/c1-23-14-4-2-11(17)6-10(14)8-20-21-16(22)9-24-15-5-3-12(18)7-13(15)19/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide?
2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 479.10 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3097765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).