1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one

C16H23FN2O2 — CID 111116350

IUPAC1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(Cc1cccc(F)c1)CC(O)CN1CCCC1=O
InChIInChI=1S/C16H23FN2O2/c1-2-18(10-13-5-3-6-14(17)9-13)11-15(20)12-19-8-4-7-16(19)21/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3
InChIKeyWMOBZUZZUJFYGF-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.63
Rot. Bonds7

About 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116350) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116350
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(Cc1cccc(F)c1)CC(O)CN1CCCC1=O
InChIInChI=1S/C16H23FN2O2/c1-2-18(10-13-5-3-6-14(17)9-13)11-15(20)12-19-8-4-7-16(19)21/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3
InChIKeyWMOBZUZZUJFYGF-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116420
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111799224
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41375343
1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116498
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892840
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116350) is 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one is CCN(Cc1cccc(F)c1)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is WMOBZUZZUJFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-18(10-13-5-3-6-14(17)9-13)11-15(20)12-19-8-4-7-16(19)21/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3.
What are the key properties of 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 294.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).