4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C18H18ClFN2O2 — CID 164634435

IUPAC4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C18H18ClFN2O2/c1-11-8-12(9-17(23)21-11)18(24)22-7-3-4-13(22)10-14-15(19)5-2-6-16(14)20/h2,5-6,8-9,13H,3-4,7,10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNRDZFODYLULPGN-CYBMUJFWSA-N
MW348.81 g/mol
LogP3.32
Rot. Bonds3

About 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 164634435) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID164634435
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C18H18ClFN2O2/c1-11-8-12(9-17(23)21-11)18(24)22-7-3-4-13(22)10-14-15(19)5-2-6-16(14)20/h2,5-6,8-9,13H,3-4,7,10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNRDZFODYLULPGN-CYBMUJFWSA-N
XLogP3.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 164634435) is 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc(=O)[nH]1.
What is the InChIKey of 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is NRDZFODYLULPGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11-8-12(9-17(23)21-11)18(24)22-7-3-4-13(22)10-14-15(19)5-2-6-16(14)20/h2,5-6,8-9,13H,3-4,7,10H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 348.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 164634435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).