N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

C23H19Cl2N3O — CID 18827573

IUPACN-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O/c24-17-9-6-10-18(25)23(17)28-21(29)13-5-8-16-15-7-1-2-11-19(15)27-22(16)20-12-3-4-14-26-20/h1-4,6-7,9-12,14,27H,5,8,13H2,(H,28,29)
InChIKeyZOTWBVVHUZYQLO-UHFFFAOYSA-N
MW424.33 g/mol
LogP6.50
Rot. Bonds6

About N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18827573) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18827573
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC NameN-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O/c24-17-9-6-10-18(25)23(17)28-21(29)13-5-8-16-15-7-1-2-11-19(15)27-22(16)20-12-3-4-14-26-20/h1-4,6-7,9-12,14,27H,5,8,13H2,(H,28,29)
InChIKeyZOTWBVVHUZYQLO-UHFFFAOYSA-N
XLogP6.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N-(2,6-dichlorophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846946
N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827424
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827474
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18833018
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
CID 18832998
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
1-(azepan-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827484

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18827573) is N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is ZOTWBVVHUZYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c24-17-9-6-10-18(25)23(17)28-21(29)13-5-8-16-15-7-1-2-11-19(15)27-22(16)20-12-3-4-14-26-20/h1-4,6-7,9-12,14,27H,5,8,13H2,(H,28,29).
What are the key properties of N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 424.33 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18827573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).