N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide

C16H20F2N2O3 — CID 75371935

IUPACN-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2OC(F)F)C1=O
InChIInChI=1S/C16H20F2N2O3/c1-10(2)9-14(21)19-11-7-8-20(15(11)22)12-5-3-4-6-13(12)23-16(17)18/h3-6,10-11,16H,7-9H2,1-2H3,(H,19,21)
InChIKeyOXMSPAHVQPRWPO-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.56
Rot. Bonds6

About N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide

N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide (PubChem CID 75371935) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
PubChem CID75371935
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2OC(F)F)C1=O
InChIInChI=1S/C16H20F2N2O3/c1-10(2)9-14(21)19-11-7-8-20(15(11)22)12-5-3-4-6-13(12)23-16(17)18/h3-6,10-11,16H,7-9H2,1-2H3,(H,19,21)
InChIKeyOXMSPAHVQPRWPO-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide (CID 75371935) is N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(c2ccccc2OC(F)F)C1=O.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide?
The InChIKey is OXMSPAHVQPRWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-10(2)9-14(21)19-11-7-8-20(15(11)22)12-5-3-4-6-13(12)23-16(17)18/h3-6,10-11,16H,7-9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide?
N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide has a molecular weight of 326.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 75371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).