N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide

C24H28Cl2N2O2 — CID 46911379

IUPACN-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCCCCCCCC(=O)N1c2ccccc2CC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H28Cl2N2O2/c1-2-3-4-5-6-7-12-23(29)28-21-11-9-8-10-17(21)13-22(28)24(30)27-20-15-18(25)14-19(26)16-20/h8-11,14-16,22H,2-7,12-13H2,1H3,(H,27,30)
InChIKeyUKIHTTOWLZLBIC-UHFFFAOYSA-N
MW447.41 g/mol
LogP6.64
Rot. Bonds9

About N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide

N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 46911379) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID46911379
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC NameN-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCCCCCCCC(=O)N1c2ccccc2CC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H28Cl2N2O2/c1-2-3-4-5-6-7-12-23(29)28-21-11-9-8-10-17(21)13-22(28)24(30)27-20-15-18(25)14-19(26)16-20/h8-11,14-16,22H,2-7,12-13H2,1H3,(H,27,30)
InChIKeyUKIHTTOWLZLBIC-UHFFFAOYSA-N
XLogP6.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide (CID 46911379) is N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide is CCCCCCCCC(=O)N1c2ccccc2CC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is UKIHTTOWLZLBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c1-2-3-4-5-6-7-12-23(29)28-21-11-9-8-10-17(21)13-22(28)24(30)27-20-15-18(25)14-19(26)16-20/h8-11,14-16,22H,2-7,12-13H2,1H3,(H,27,30).
What are the key properties of N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide?
N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-nonanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 46911379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).