(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C14H16ClFN2O2 — CID 71463299

IUPAC(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyMZOGOEBWSGJBQB-LLVKDONJSA-N
MW298.74 g/mol
LogP2.11
Rot. Bonds4

About (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 71463299) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID71463299
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyMZOGOEBWSGJBQB-LLVKDONJSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 71463299) is (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MZOGOEBWSGJBQB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-2-18-11(6-7-12(18)19)14(20)17-8-9-4-3-5-10(15)13(9)16/h3-5,11H,2,6-8H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 298.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71463299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).