2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C16H11ClIN3O3 — CID 1125969

IUPAC2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(COc1ccc(Cl)cc1I)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H11ClIN3O3/c17-9-5-6-13(11(18)7-9)24-8-14(22)20-21-15-10-3-1-2-4-12(10)19-16(15)23/h1-7,19,23H,8H2/b21-20+
InChIKeyWIPAYQYOVXCMAL-QZQOTICOSA-N
MW455.64 g/mol
LogP4.82
Rot. Bonds4

About 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 1125969) has the molecular formula C16H11ClIN3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID1125969
Molecular FormulaC16H11ClIN3O3
Molecular Weight455.64 g/mol
Exact Mass454.95
IUPAC Name2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(COc1ccc(Cl)cc1I)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H11ClIN3O3/c17-9-5-6-13(11(18)7-9)24-8-14(22)20-21-15-10-3-1-2-4-12(10)19-16(15)23/h1-7,19,23H,8H2/b21-20+
InChIKeyWIPAYQYOVXCMAL-QZQOTICOSA-N
XLogP4.82
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 3779132
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 166593558
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
CID 172640301
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739
2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 1125969) is 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(COc1ccc(Cl)cc1I)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is WIPAYQYOVXCMAL-QZQOTICOSA-N. The full InChI is InChI=1S/C16H11ClIN3O3/c17-9-5-6-13(11(18)7-9)24-8-14(22)20-21-15-10-3-1-2-4-12(10)19-16(15)23/h1-7,19,23H,8H2/b21-20+.
What are the key properties of 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 455.64 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 1125969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).