N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide

C18H13Cl2N3O3 — CID 78630599

IUPACN-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
SMILESO=C(C=NOCC(=O)c1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3/c19-14-6-5-11(7-15(14)20)23-18(25)9-22-26-10-17(24)13-8-21-16-4-2-1-3-12(13)16/h1-9,21H,10H2,(H,23,25)
InChIKeyOOJNPIJHDPGJES-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.30
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide

N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide (PubChem CID 78630599) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
PubChem CID78630599
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide
SMILESO=C(C=NOCC(=O)c1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3/c19-14-6-5-11(7-15(14)20)23-18(25)9-22-26-10-17(24)13-8-21-16-4-2-1-3-12(13)16/h1-9,21H,10H2,(H,23,25)
InChIKeyOOJNPIJHDPGJES-UHFFFAOYSA-N
XLogP4.30
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
2-[(Z)-[2-(3,4-dichloroanilino)-2-oxoethylidene]amino]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8933578
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 6179575
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
CID 3534156
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide (CID 78630599) is N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide is O=C(C=NOCC(=O)c1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide?
The InChIKey is OOJNPIJHDPGJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c19-14-6-5-11(7-15(14)20)23-18(25)9-22-26-10-17(24)13-8-21-16-4-2-1-3-12(13)16/h1-9,21H,10H2,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide?
N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide has a molecular weight of 390.23 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethoxy]iminoacetamide is sourced from PubChem (CID 78630599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).