phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate

C26H19FN2O5 — CID 70006062

IUPACphenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
SMILESCOc1cc(-c2ccccc2F)cc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C26H19FN2O5/c1-32-24-17-18(21-14-8-9-15-22(21)27)16-23(28-24)29(25(30)33-19-10-4-2-5-11-19)26(31)34-20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyQQLIDSDAMVMMRB-UHFFFAOYSA-N
MW458.45 g/mol
LogP6.10
Rot. Bonds5

About phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate

phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate (PubChem CID 70006062) has the molecular formula C26H19FN2O5 and a molecular weight of 458.45 g/mol. Its IUPAC name is phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Namephenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
PubChem CID70006062
Molecular FormulaC26H19FN2O5
Molecular Weight458.45 g/mol
Exact Mass458.13
IUPAC Namephenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
SMILESCOc1cc(-c2ccccc2F)cc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C26H19FN2O5/c1-32-24-17-18(21-14-8-9-15-22(21)27)16-23(28-24)29(25(30)33-19-10-4-2-5-11-19)26(31)34-20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyQQLIDSDAMVMMRB-UHFFFAOYSA-N
XLogP6.10
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The IUPAC name of phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate (CID 70006062) is phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate.
What is the SMILES notation for phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The canonical SMILES for phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate is COc1cc(-c2ccccc2F)cc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
The InChIKey is QQLIDSDAMVMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O5/c1-32-24-17-18(21-14-8-9-15-22(21)27)16-23(28-24)29(25(30)33-19-10-4-2-5-11-19)26(31)34-20-12-6-3-7-13-20/h2-17H,1H3.
What are the key properties of phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate?
phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate has a molecular weight of 458.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(2-fluorophenyl)-6-methoxy-2-pyridinyl]-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 70006062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).