1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H17ClF2N2O2 — CID 113185875

IUPAC1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H17ClF2N2O2/c20-14-4-1-3-12(9-14)7-8-24-11-13(10-17(24)25)19(26)23-18-15(21)5-2-6-16(18)22/h1-6,9,13H,7-8,10-11H2,(H,23,26)
InChIKeyNDIFXBBIYSADAV-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185875) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113185875
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C19H17ClF2N2O2/c20-14-4-1-3-12(9-14)7-8-24-11-13(10-17(24)25)19(26)23-18-15(21)5-2-6-16(18)22/h1-6,9,13H,7-8,10-11H2,(H,23,26)
InChIKeyNDIFXBBIYSADAV-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
1-[2-(3-chlorophenyl)ethyl]-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185813
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184309
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184308
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113185875) is 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1c(F)cccc1F)C1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NDIFXBBIYSADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-14-4-1-3-12(9-14)7-8-24-11-13(10-17(24)25)19(26)23-18-15(21)5-2-6-16(18)22/h1-6,9,13H,7-8,10-11H2,(H,23,26).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).