N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

C23H20FN5O4 — CID 71463503

IUPACN-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1
InChIInChI=1S/C23H20FN5O4/c1-15(30)26-21-14-18(9-10-25-21)33-20-8-7-16(13-19(20)24)27-22(31)29-12-11-28(23(29)32)17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,27,31)(H,25,26,30)
InChIKeyKLFJILREZYCANE-UHFFFAOYSA-N
MW449.44 g/mol
LogP4.45
Rot. Bonds5

About N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide

N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 71463503) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID71463503
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC NameN-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1
InChIInChI=1S/C23H20FN5O4/c1-15(30)26-21-14-18(9-10-25-21)33-20-8-7-16(13-19(20)24)27-22(31)29-12-11-28(23(29)32)17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,27,31)(H,25,26,30)
InChIKeyKLFJILREZYCANE-UHFFFAOYSA-N
XLogP4.45
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 71463503) is N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1.
What is the InChIKey of N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is KLFJILREZYCANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c1-15(30)26-21-14-18(9-10-25-21)33-20-8-7-16(13-19(20)24)27-22(31)29-12-11-28(23(29)32)17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,27,31)(H,25,26,30).
What are the key properties of N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-acetamido-4-pyridinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 71463503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).