N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide

C20H17N3O2 — CID 4294067

IUPACN-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(C#N)cc3)c12
InChIInChI=1S/C20H17N3O2/c1-2-15-4-3-5-18-16(13-24)11-23(20(15)18)12-19(25)22-17-8-6-14(10-21)7-9-17/h3-9,11,13H,2,12H2,1H3,(H,22,25)
InChIKeyGLJJXSLIQPHVCG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.53
Rot. Bonds5

About N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide

N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide (PubChem CID 4294067) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
PubChem CID4294067
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(C#N)cc3)c12
InChIInChI=1S/C20H17N3O2/c1-2-15-4-3-5-18-16(13-24)11-23(20(15)18)12-19(25)22-17-8-6-14(10-21)7-9-17/h3-9,11,13H,2,12H2,1H3,(H,22,25)
InChIKeyGLJJXSLIQPHVCG-UHFFFAOYSA-N
XLogP3.53
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
methyl 2-chloro-5-[[2-(7-ethyl-3-formylindol-1-yl)acetyl]amino]benzoate
CID 3510448
N-(2-bromo-4,5-dimethylphenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 5071903
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2943497
N-(4-cyanophenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 42644678
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
2-(3-cyano-7-ethylindol-1-yl)acetamide
CID 900742
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)pentanamide
CID 2162994
2-[(5Z)-5-[[7-ethyl-1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 126145130
N-(4-cyanophenyl)-2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173941

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide (CID 4294067) is N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide is CCc1cccc2c(C=O)cn(CC(=O)Nc3ccc(C#N)cc3)c12.
What is the InChIKey of N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide?
The InChIKey is GLJJXSLIQPHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-15-4-3-5-18-16(13-24)11-23(20(15)18)12-19(25)22-17-8-6-14(10-21)7-9-17/h3-9,11,13H,2,12H2,1H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide?
N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide is sourced from PubChem (CID 4294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).