1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one

C19H18ClFN2O — CID 59688410

IUPAC1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccc(F)c2)C(c2ccc(Cl)cc2)C12CCNCC2
InChIInChI=1S/C19H18ClFN2O/c20-14-6-4-13(5-7-14)17-19(8-10-22-11-9-19)18(24)23(17)16-3-1-2-15(21)12-16/h1-7,12,17,22H,8-11H2
InChIKeyRTQNQRQRMOZWFJ-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.94
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one

1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 59688410) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID59688410
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccc(F)c2)C(c2ccc(Cl)cc2)C12CCNCC2
InChIInChI=1S/C19H18ClFN2O/c20-14-6-4-13(5-7-14)17-19(8-10-22-11-9-19)18(24)23(17)16-3-1-2-15(21)12-16/h1-7,12,17,22H,8-11H2
InChIKeyRTQNQRQRMOZWFJ-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 59688410) is 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one is O=C1N(c2cccc(F)c2)C(c2ccc(Cl)cc2)C12CCNCC2.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is RTQNQRQRMOZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-14-6-4-13(5-7-14)17-19(8-10-22-11-9-19)18(24)23(17)16-3-1-2-15(21)12-16/h1-7,12,17,22H,8-11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one?
1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 344.82 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 59688410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).