5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide

C25H30ClN3O2 — CID 118727855

IUPAC5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCCCCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1
InChIInChI=1S/C25H30ClN3O2/c1-3-5-6-7-23(30)28-19-11-8-17(9-12-19)14-15-27-25(31)24-20(4-2)21-16-18(26)10-13-22(21)29-24/h8-13,16,29H,3-7,14-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRCNJZTHWNBKXOO-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.88
Rot. Bonds10

About 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide

5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 118727855) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID118727855
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCCCCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1
InChIInChI=1S/C25H30ClN3O2/c1-3-5-6-7-23(30)28-19-11-8-17(9-12-19)14-15-27-25(31)24-20(4-2)21-16-18(26)10-13-22(21)29-24/h8-13,16,29H,3-7,14-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRCNJZTHWNBKXOO-UHFFFAOYSA-N
XLogP5.88
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-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

Related Compounds

5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-heptylphenyl)heptanamide
CID 101077737
5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 169175710
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide (CID 118727855) is 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide is CCCCCC(=O)Nc1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1.
What is the InChIKey of 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is RCNJZTHWNBKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-3-5-6-7-23(30)28-19-11-8-17(9-12-19)14-15-27-25(31)24-20(4-2)21-16-18(26)10-13-22(21)29-24/h8-13,16,29H,3-7,14-15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide?
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 5.88, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).