N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide

C17H12ClFN2O2 — CID 775578

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C17H12ClFN2O2/c18-14-7-12(5-6-15(14)19)20-17(23)9-21-8-11(10-22)13-3-1-2-4-16(13)21/h1-8,10H,9H2,(H,20,23)
InChIKeyHVTFVMWZGMNBTP-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.88
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 775578) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID775578
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C17H12ClFN2O2/c18-14-7-12(5-6-15(14)19)20-17(23)9-21-8-11(10-22)13-3-1-2-4-16(13)21/h1-8,10H,9H2,(H,20,23)
InChIKeyHVTFVMWZGMNBTP-UHFFFAOYSA-N
XLogP3.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-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-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
CID 46858698
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
N-(3-chloro-4-fluorophenyl)-2-[(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126232265
N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
CID 1004063
2-[3-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126278617

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide (CID 775578) is N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide is O=Cc1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is HVTFVMWZGMNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-14-7-12(5-6-15(14)19)20-17(23)9-21-8-11(10-22)13-3-1-2-4-16(13)21/h1-8,10H,9H2,(H,20,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 330.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 775578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).