N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide

C18H16ClN3O — CID 5150836

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
SMILESCC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNWZBMTWUXZBTKR-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide

N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide (PubChem CID 5150836) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
PubChem CID5150836
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
SMILESCC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNWZBMTWUXZBTKR-UHFFFAOYSA-N
XLogP3.84
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 6284969
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 17080225
2-indol-1-yl-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 3659889
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 17080231
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 7316808
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide (CID 5150836) is N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide is CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide?
The InChIKey is NWZBMTWUXZBTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13(14-6-8-16(19)9-7-14)20-21-18(23)12-22-11-10-15-4-2-3-5-17(15)22/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide has a molecular weight of 325.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide is sourced from PubChem (CID 5150836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).