4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

C13H14F2N2O3 — CID 96506947

IUPAC4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCN1CC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C13H14F2N2O3/c1-17-7-6-10(12(17)19)16-11(18)8-2-4-9(5-3-8)20-13(14)15/h2-5,10,13H,6-7H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyAUVHVXJZUODQQA-SNVBAGLBSA-N
MW284.26 g/mol
LogP1.25
Rot. Bonds4

About 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 96506947) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID96506947
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCN1CC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C13H14F2N2O3/c1-17-7-6-10(12(17)19)16-11(18)8-2-4-9(5-3-8)20-13(14)15/h2-5,10,13H,6-7H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyAUVHVXJZUODQQA-SNVBAGLBSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)benzamide
CID 103799877
N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
CID 106443998
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 126441594
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 119132601
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (CID 96506947) is 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is CN1CC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is AUVHVXJZUODQQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-17-7-6-10(12(17)19)16-11(18)8-2-4-9(5-3-8)20-13(14)15/h2-5,10,13H,6-7H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 284.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 96506947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).