2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide

C27H22FN2OP — CID 141333956

IUPAC2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide
SMILESCn1cc(C(P)C(=O)Nc2ccc3ccccc3c2)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C27H22FN2OP/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,32H2,1H3,(H,29,31)
InChIKeyWRISQZIMTXMWQL-UHFFFAOYSA-N
MW440.46 g/mol
LogP6.69
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide

2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide (PubChem CID 141333956) has the molecular formula C27H22FN2OP and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide
PubChem CID141333956
Molecular FormulaC27H22FN2OP
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Name2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide
SMILESCn1cc(C(P)C(=O)Nc2ccc3ccccc3c2)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C27H22FN2OP/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,32H2,1H3,(H,29,31)
InChIKeyWRISQZIMTXMWQL-UHFFFAOYSA-N
XLogP6.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide (CID 141333956) is 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide is Cn1cc(C(P)C(=O)Nc2ccc3ccccc3c2)c2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide?
The InChIKey is WRISQZIMTXMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN2OP/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,32H2,1H3,(H,29,31).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide?
2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide has a molecular weight of 440.46 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphanylacetamide is sourced from PubChem (CID 141333956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).