N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C22H20ClF3N2O2 — CID 102556916

IUPACN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C22H20ClF3N2O2/c1-27(19-10-11-28(21(19)30)18-9-5-4-8-17(18)23)20(29)15-12-14(15)13-6-2-3-7-16(13)22(24,25)26/h2-9,14-15,19H,10-12H2,1H3
InChIKeyFIFZLXLLQBVZQJ-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 102556916) has the molecular formula C22H20ClF3N2O2 and a molecular weight of 436.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID102556916
Molecular FormulaC22H20ClF3N2O2
Molecular Weight436.86 g/mol
Exact Mass436.12
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C22H20ClF3N2O2/c1-27(19-10-11-28(21(19)30)18-9-5-4-8-17(18)23)20(29)15-12-14(15)13-6-2-3-7-16(13)22(24,25)26/h2-9,14-15,19H,10-12H2,1H3
InChIKeyFIFZLXLLQBVZQJ-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 102556916) is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FIFZLXLLQBVZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O2/c1-27(19-10-11-28(21(19)30)18-9-5-4-8-17(18)23)20(29)15-12-14(15)13-6-2-3-7-16(13)22(24,25)26/h2-9,14-15,19H,10-12H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 436.86 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 102556916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).