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

C19H17N3O3 — CID 46858691

IUPACN-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O3/c1-13(24)20-15-6-8-16(9-7-15)21-19(25)11-22-10-14(12-23)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyNAWWMWGZYQJZIF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.05
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 46858691) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID46858691
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O3/c1-13(24)20-15-6-8-16(9-7-15)21-19(25)11-22-10-14(12-23)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyNAWWMWGZYQJZIF-UHFFFAOYSA-N
XLogP3.05
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
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
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-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
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
2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4253502
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
2-(3-formylindol-1-yl)acetate
CID 3544186
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-(4-methylphenyl)acetamide
CID 3309799

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide (CID 46858691) is N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is NAWWMWGZYQJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(24)20-15-6-8-16(9-7-15)21-19(25)11-22-10-14(12-23)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 46858691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).