4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide

C23H19ClIN3O — CID 18832998

IUPAC4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1
InChIInChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29)
InChIKeyIAWYWILPMRZHLT-UHFFFAOYSA-N
MW515.78 g/mol
LogP6.45
Rot. Bonds6

About 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide (PubChem CID 18832998) has the molecular formula C23H19ClIN3O and a molecular weight of 515.78 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
PubChem CID18832998
Molecular FormulaC23H19ClIN3O
Molecular Weight515.78 g/mol
Exact Mass515.03
IUPAC Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1
InChIInChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29)
InChIKeyIAWYWILPMRZHLT-UHFFFAOYSA-N
XLogP6.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.78
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
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,N-dimethylbutanamide
CID 18832951
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-phenyldiazenylphenyl)butanamide
CID 18833173
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
1-(azepan-1-yl)-4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18832956

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide (CID 18832998) is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Nc1ccc(I)cc1.
What is the InChIKey of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
The InChIKey is IAWYWILPMRZHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClIN3O/c24-15-7-12-20-19(14-15)18(23(28-20)21-5-1-2-13-26-21)4-3-6-22(29)27-17-10-8-16(25)9-11-17/h1-2,5,7-14,28H,3-4,6H2,(H,27,29).
What are the key properties of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide?
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide has a molecular weight of 515.78 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 18832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).