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

C18H13N3O2 — CID 4171162

IUPACN-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H13N3O2/c19-9-13-5-7-15(8-6-13)20-18(23)11-21-10-14(12-22)16-3-1-2-4-17(16)21/h1-8,10,12H,11H2,(H,20,23)
InChIKeyHPAQDNQUGNOTLE-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.96
Rot. Bonds4

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

N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 4171162) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID4171162
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H13N3O2/c19-9-13-5-7-15(8-6-13)20-18(23)11-21-10-14(12-22)16-3-1-2-4-17(16)21/h1-8,10,12H,11H2,(H,20,23)
InChIKeyHPAQDNQUGNOTLE-UHFFFAOYSA-N
XLogP2.96
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(4-cyanophenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 4294067
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-formylindol-1-yl)acetamide
CID 5158339
2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4253502
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
2-[3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 2983602
2-(3-formylindol-1-yl)acetate
CID 3544186
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide (CID 4171162) is N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide is N#Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is HPAQDNQUGNOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c19-9-13-5-7-15(8-6-13)20-18(23)11-21-10-14(12-22)16-3-1-2-4-17(16)21/h1-8,10,12H,11H2,(H,20,23).
What are the key properties of N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 4171162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).