(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C14H16F2N2O2 — CID 67463436

IUPAC(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O2/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-/m0/s1
InChIKeyZXZPSRAWZPSXSG-NSHDSACASA-N
MW282.29 g/mol
LogP1.59
Rot. Bonds4

About (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67463436) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67463436
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O2/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-/m0/s1
InChIKeyZXZPSRAWZPSXSG-NSHDSACASA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67463436) is (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(F)c1F.
What is the InChIKey of (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZXZPSRAWZPSXSG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F2N2O2/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-/m0/s1.
What are the key properties of (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67463436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).