N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide

C19H18F2N2O2 — CID 97222893

IUPACN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18F2N2O2/c20-15-8-4-7-14(18(15)21)11-17(24)22-16-9-10-23(19(16)25)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,22,24)/t16-/m0/s1
InChIKeySWDIVQGORUBOJN-INIZCTEOSA-N
MW344.36 g/mol
LogP2.42
Rot. Bonds5

About N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide

N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide (PubChem CID 97222893) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
PubChem CID97222893
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H18F2N2O2/c20-15-8-4-7-14(18(15)21)11-17(24)22-16-9-10-23(19(16)25)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,22,24)/t16-/m0/s1
InChIKeySWDIVQGORUBOJN-INIZCTEOSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide (CID 97222893) is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide is O=C(Cc1cccc(F)c1F)N[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The InChIKey is SWDIVQGORUBOJN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-15-8-4-7-14(18(15)21)11-17(24)22-16-9-10-23(19(16)25)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 97222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).