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

C27H20FN2O2P — CID 143085350

IUPAC2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide
SMILESCn1cc(C(P=O)C(=O)Nc2ccc3ccccc3c2)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C27H20FN2O2P/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(33-32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,1H3,(H,29,31)
InChIKeyFTGRXRINRODLSD-UHFFFAOYSA-N
MW454.44 g/mol
LogP7.11
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide (PubChem CID 143085350) has the molecular formula C27H20FN2O2P and a molecular weight of 454.44 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide
PubChem CID143085350
Molecular FormulaC27H20FN2O2P
Molecular Weight454.44 g/mol
Exact Mass454.12
IUPAC Name2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide
SMILESCn1cc(C(P=O)C(=O)Nc2ccc3ccccc3c2)c2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C27H20FN2O2P/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(33-32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,1H3,(H,29,31)
InChIKeyFTGRXRINRODLSD-UHFFFAOYSA-N
XLogP7.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phosphorosoacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide (CID 143085350) is 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide is Cn1cc(C(P=O)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-phosphorosoacetamide?
The InChIKey is FTGRXRINRODLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN2O2P/c1-30-16-24(23-15-20(9-13-25(23)30)18-6-10-21(28)11-7-18)26(33-32)27(31)29-22-12-8-17-4-2-3-5-19(17)14-22/h2-16,26H,1H3,(H,29,31).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide?
2-[5-(4-fluorophenyl)-1-methylindol-3-yl]-N-naphthalen-2-yl-2-phosphorosoacetamide has a molecular weight of 454.44 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-phosphorosoacetamide is sourced from PubChem (CID 143085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).