2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C16H20F2N2O4 — CID 78777512

IUPAC2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCCC2=O)c1OC(F)F
InChIInChI=1S/C16H20F2N2O4/c1-23-12-6-2-5-11(14(12)24-16(17)18)15(22)19-8-4-10-20-9-3-7-13(20)21/h2,5-6,16H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyIKCRQMGOQMOZPH-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.04
Rot. Bonds8

About 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 78777512) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID78777512
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCCC2=O)c1OC(F)F
InChIInChI=1S/C16H20F2N2O4/c1-23-12-6-2-5-11(14(12)24-16(17)18)15(22)19-8-4-10-20-9-3-7-13(20)21/h2,5-6,16H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyIKCRQMGOQMOZPH-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide
CID 94550209
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 39888645
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 30483403
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 78777512) is 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCCN2CCCC2=O)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is IKCRQMGOQMOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c1-23-12-6-2-5-11(14(12)24-16(17)18)15(22)19-8-4-10-20-9-3-7-13(20)21/h2,5-6,16H,3-4,7-10H2,1H3,(H,19,22).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 342.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 78777512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).