N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C20H20F2N2O2 — CID 46513080

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20F2N2O2/c1-13(14-8-9-17(21)18(22)12-14)23(2)20(26)15-5-3-6-16(11-15)24-10-4-7-19(24)25/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3
InChIKeyMYZHXMRUKXOOBW-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46513080) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46513080
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20F2N2O2/c1-13(14-8-9-17(21)18(22)12-14)23(2)20(26)15-5-3-6-16(11-15)24-10-4-7-19(24)25/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3
InChIKeyMYZHXMRUKXOOBW-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 46513080) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MYZHXMRUKXOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13(14-8-9-17(21)18(22)12-14)23(2)20(26)15-5-3-6-16(11-15)24-10-4-7-19(24)25/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 358.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46513080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).