N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide

C16H14ClIN2O4 — CID 126277187

IUPACN-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/O)cc(I)c1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClIN2O4/c1-23-14-7-10(8-19-22)6-12(18)16(14)24-9-15(21)20-13-5-3-2-4-11(13)17/h2-8,22H,9H2,1H3,(H,20,21)/b19-8+
InChIKeySRVORCWDPVRJIG-UFWORHAWSA-N
MW460.66 g/mol
LogP3.78
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide

N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide (PubChem CID 126277187) has the molecular formula C16H14ClIN2O4 and a molecular weight of 460.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide
PubChem CID126277187
Molecular FormulaC16H14ClIN2O4
Molecular Weight460.66 g/mol
Exact Mass459.97
IUPAC NameN-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=N/O)cc(I)c1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClIN2O4/c1-23-14-7-10(8-19-22)6-12(18)16(14)24-9-15(21)20-13-5-3-2-4-11(13)17/h2-8,22H,9H2,1H3,(H,20,21)/b19-8+
InChIKeySRVORCWDPVRJIG-UFWORHAWSA-N
XLogP3.78
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.66
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126269915
N-(2-chlorophenyl)-N'-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 5253284
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 57365555
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]oxamide
CID 126161926
N-(2-chlorophenyl)-2-[4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126260068
(E)-3-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 126272281
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126278513
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
N-(2-chlorophenyl)-2-[4-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126262048
ethyl 2-[4-[[[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]acetate
CID 3924316
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126163990

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide (CID 126277187) is N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide is COc1cc(/C=N/O)cc(I)c1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide?
The InChIKey is SRVORCWDPVRJIG-UFWORHAWSA-N. The full InChI is InChI=1S/C16H14ClIN2O4/c1-23-14-7-10(8-19-22)6-12(18)16(14)24-9-15(21)20-13-5-3-2-4-11(13)17/h2-8,22H,9H2,1H3,(H,20,21)/b19-8+.
What are the key properties of N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide?
N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide has a molecular weight of 460.66 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 126277187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).