1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one

C17H17FN2O2 — CID 75385409

IUPAC1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C17H17FN2O2/c18-15-10-13(19-11-12-3-1-4-14(21)9-12)6-7-16(15)20-8-2-5-17(20)22/h1,3-4,6-7,9-10,19,21H,2,5,8,11H2
InChIKeyCQCULMQDYKEDKH-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one

1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 75385409) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID75385409
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C17H17FN2O2/c18-15-10-13(19-11-12-3-1-4-14(21)9-12)6-7-16(15)20-8-2-5-17(20)22/h1,3-4,6-7,9-10,19,21H,2,5,8,11H2
InChIKeyCQCULMQDYKEDKH-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one (CID 75385409) is 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCc2cccc(O)c2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is CQCULMQDYKEDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-10-13(19-11-12-3-1-4-14(21)9-12)6-7-16(15)20-8-2-5-17(20)22/h1,3-4,6-7,9-10,19,21H,2,5,8,11H2.
What are the key properties of 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 300.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75385409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).