N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide

C23H16Cl2FN3O3 — CID 11123551

IUPACN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cncc1Cl)cn2Cc1ccc(F)cc1
InChIInChI=1S/C23H16Cl2FN3O3/c1-32-15-6-7-20-16(8-15)17(12-29(20)11-13-2-4-14(26)5-3-13)22(30)23(31)28-21-18(24)9-27-10-19(21)25/h2-10,12H,11H2,1H3,(H,27,28,31)
InChIKeyPNZJLUGKBOZWLR-UHFFFAOYSA-N
MW472.30 g/mol
LogP5.36
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide

N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide (PubChem CID 11123551) has the molecular formula C23H16Cl2FN3O3 and a molecular weight of 472.30 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
PubChem CID11123551
Molecular FormulaC23H16Cl2FN3O3
Molecular Weight472.30 g/mol
Exact Mass471.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cncc1Cl)cn2Cc1ccc(F)cc1
InChIInChI=1S/C23H16Cl2FN3O3/c1-32-15-6-7-20-16(8-15)17(12-29(20)11-13-2-4-14(26)5-3-13)22(30)23(31)28-21-18(24)9-27-10-19(21)25/h2-10,12H,11H2,1H3,(H,27,28,31)
InChIKeyPNZJLUGKBOZWLR-UHFFFAOYSA-N
XLogP5.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.30
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide (CID 11123551) is N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1c(Cl)cncc1Cl)cn2Cc1ccc(F)cc1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
The InChIKey is PNZJLUGKBOZWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN3O3/c1-32-15-6-7-20-16(8-15)17(12-29(20)11-13-2-4-14(26)5-3-13)22(30)23(31)28-21-18(24)9-27-10-19(21)25/h2-10,12H,11H2,1H3,(H,27,28,31).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide?
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide has a molecular weight of 472.30 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 11123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).