2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide

C23H17Cl2N3O3 — CID 135604198

IUPAC2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
SMILESO=C(COc1ccccc1Cl)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H17Cl2N3O3/c24-17-9-3-1-7-15(17)13-28-19-11-5-2-8-16(19)22(23(28)30)27-26-21(29)14-31-20-12-6-4-10-18(20)25/h1-12,30H,13-14H2/b27-26+
InChIKeyLWHFUNIDSMZLBW-CYYJNZCTSA-N
MW454.31 g/mol
LogP6.39
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide

2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide (PubChem CID 135604198) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
PubChem CID135604198
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
SMILESO=C(COc1ccccc1Cl)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H17Cl2N3O3/c24-17-9-3-1-7-15(17)13-28-19-11-5-2-8-16(19)22(23(28)30)27-26-21(29)14-31-20-12-6-4-10-18(20)25/h1-12,30H,13-14H2/b27-26+
InChIKeyLWHFUNIDSMZLBW-CYYJNZCTSA-N
XLogP6.39
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179335
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
CID 2461663
2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172299
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3769673
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135526905
N-[2-hydroxy-1-[[4-(3-methylbutoxy)phenyl]methyl]indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135629759
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
(3R)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1391208

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide (CID 135604198) is 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide is O=C(COc1ccccc1Cl)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide?
The InChIKey is LWHFUNIDSMZLBW-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-17-9-3-1-7-15(17)13-28-19-11-5-2-8-16(19)22(23(28)30)27-26-21(29)14-31-20-12-6-4-10-18(20)25/h1-12,30H,13-14H2/b27-26+.
What are the key properties of 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide?
2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide has a molecular weight of 454.31 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide is sourced from PubChem (CID 135604198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).