3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one

C23H25ClFNO — CID 11531123

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one
SMILESO=C1C(Cc2c(F)cccc2Cl)CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H25ClFNO/c24-20-10-7-11-21(25)19(20)16-17-12-15-26(22(17)27)23(13-5-2-6-14-23)18-8-3-1-4-9-18/h1,3-4,7-11,17H,2,5-6,12-16H2
InChIKeyOJIXKUZWRPPGER-UHFFFAOYSA-N
MW385.91 g/mol
LogP5.73
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one (PubChem CID 11531123) has the molecular formula C23H25ClFNO and a molecular weight of 385.91 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one
PubChem CID11531123
Molecular FormulaC23H25ClFNO
Molecular Weight385.91 g/mol
Exact Mass385.16
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one
SMILESO=C1C(Cc2c(F)cccc2Cl)CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H25ClFNO/c24-20-10-7-11-21(25)19(20)16-17-12-15-26(22(17)27)23(13-5-2-6-14-23)18-8-3-1-4-9-18/h1,3-4,7-11,17H,2,5-6,12-16H2
InChIKeyOJIXKUZWRPPGER-UHFFFAOYSA-N
XLogP5.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.91
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one (CID 11531123) is 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one is O=C1C(Cc2c(F)cccc2Cl)CCN1C1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one?
The InChIKey is OJIXKUZWRPPGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFNO/c24-20-10-7-11-21(25)19(20)16-17-12-15-26(22(17)27)23(13-5-2-6-14-23)18-8-3-1-4-9-18/h1,3-4,7-11,17H,2,5-6,12-16H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one has a molecular weight of 385.91 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1-(1-phenylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 11531123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).