3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one

C18H24ClFN2O — CID 146767122

IUPAC3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one
SMILESO=C1NCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O/c19-16-11-14(20)5-6-15(16)13-3-1-12(2-4-13)7-9-21-17-8-10-22-18(17)23/h5-6,11-13,17,21H,1-4,7-10H2,(H,22,23)
InChIKeyRQVOGJMMACHPIC-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.62
Rot. Bonds5

About 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one

3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one (PubChem CID 146767122) has the molecular formula C18H24ClFN2O and a molecular weight of 338.85 g/mol. Its IUPAC name is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one
PubChem CID146767122
Molecular FormulaC18H24ClFN2O
Molecular Weight338.85 g/mol
Exact Mass338.16
IUPAC Name3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one
SMILESO=C1NCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C18H24ClFN2O/c19-16-11-14(20)5-6-15(16)13-3-1-12(2-4-13)7-9-21-17-8-10-22-18(17)23/h5-6,11-13,17,21H,1-4,7-10H2,(H,22,23)
InChIKeyRQVOGJMMACHPIC-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one?
The IUPAC name of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one (CID 146767122) is 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one?
The canonical SMILES for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one is O=C1NCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one?
The InChIKey is RQVOGJMMACHPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O/c19-16-11-14(20)5-6-15(16)13-3-1-12(2-4-13)7-9-21-17-8-10-22-18(17)23/h5-6,11-13,17,21H,1-4,7-10H2,(H,22,23).
What are the key properties of 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one?
3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one has a molecular weight of 338.85 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 146767122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).