(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C19H20ClFN2O — CID 90016611

IUPAC(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCl.O=C1NCC[C@@]12CC[C@H](c1cccc(-c3ccccc3F)c1)N2
InChIInChI=1S/C19H19FN2O.ClH/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)17-8-9-19(22-17)10-11-21-18(19)23;/h1-7,12,17,22H,8-11H2,(H,21,23);1H/t17-,19+;/m1./s1
InChIKeyZRDNZRJQZFDDHQ-ZFNKBKEPSA-N
MW346.83 g/mol
LogP3.60
Rot. Bonds2

About (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 90016611) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID90016611
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCl.O=C1NCC[C@@]12CC[C@H](c1cccc(-c3ccccc3F)c1)N2
InChIInChI=1S/C19H19FN2O.ClH/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)17-8-9-19(22-17)10-11-21-18(19)23;/h1-7,12,17,22H,8-11H2,(H,21,23);1H/t17-,19+;/m1./s1
InChIKeyZRDNZRJQZFDDHQ-ZFNKBKEPSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 90016611) is (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is Cl.O=C1NCC[C@@]12CC[C@H](c1cccc(-c3ccccc3F)c1)N2.
What is the InChIKey of (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is ZRDNZRJQZFDDHQ-ZFNKBKEPSA-N. The full InChI is InChI=1S/C19H19FN2O.ClH/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)17-8-9-19(22-17)10-11-21-18(19)23;/h1-7,12,17,22H,8-11H2,(H,21,23);1H/t17-,19+;/m1./s1.
What are the key properties of (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
(2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 90016611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).