1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide

C22H24F2N2O4 — CID 112819653

IUPAC1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2ccccc2)cc1OC(F)F
InChIInChI=1S/C22H24F2N2O4/c1-25(14-15-10-11-18(29-2)19(13-15)30-22(23)24)21(28)17-9-6-12-26(17)20(27)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,22H,6,9,12,14H2,1-2H3
InChIKeyNURQMHUFGKXNBT-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.56
Rot. Bonds7

About 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide

1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 112819653) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID112819653
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2ccccc2)cc1OC(F)F
InChIInChI=1S/C22H24F2N2O4/c1-25(14-15-10-11-18(29-2)19(13-15)30-22(23)24)21(28)17-9-6-12-26(17)20(27)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,22H,6,9,12,14H2,1-2H3
InChIKeyNURQMHUFGKXNBT-UHFFFAOYSA-N
XLogP3.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 112819653) is 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide is COc1ccc(CN(C)C(=O)C2CCCN2C(=O)c2ccccc2)cc1OC(F)F.
What is the InChIKey of 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NURQMHUFGKXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-25(14-15-10-11-18(29-2)19(13-15)30-22(23)24)21(28)17-9-6-12-26(17)20(27)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17,22H,6,9,12,14H2,1-2H3.
What are the key properties of 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide?
1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 112819653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).