(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide

C16H18ClFN2O2 — CID 71454379

IUPAC(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C16H18ClFN2O2/c17-13-8-11(18)5-4-10(13)9-19-16(22)14-6-7-15(21)20(14)12-2-1-3-12/h4-5,8,12,14H,1-3,6-7,9H2,(H,19,22)/t14-/m1/s1
InChIKeyFNVZHBIISXOKGX-CQSZACIVSA-N
MW324.78 g/mol
LogP2.64
Rot. Bonds4

About (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 71454379) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide
PubChem CID71454379
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1C1CCC1
InChIInChI=1S/C16H18ClFN2O2/c17-13-8-11(18)5-4-10(13)9-19-16(22)14-6-7-15(21)20(14)12-2-1-3-12/h4-5,8,12,14H,1-3,6-7,9H2,(H,19,22)/t14-/m1/s1
InChIKeyFNVZHBIISXOKGX-CQSZACIVSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide (CID 71454379) is (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1Cl)[C@H]1CCC(=O)N1C1CCC1.
What is the InChIKey of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FNVZHBIISXOKGX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-13-8-11(18)5-4-10(13)9-19-16(22)14-6-7-15(21)20(14)12-2-1-3-12/h4-5,8,12,14H,1-3,6-7,9H2,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 324.78 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71454379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).