N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H13F5N2O2 — CID 113188760

IUPACN-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H13F5N2O2/c19-13-2-1-3-14(20)16(13)24-17(27)10-8-15(26)25(9-10)12-6-4-11(5-7-12)18(21,22)23/h1-7,10H,8-9H2,(H,24,27)
InChIKeyBFSHIZOILJGHKU-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.98
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113188760) has the molecular formula C18H13F5N2O2 and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113188760
Molecular FormulaC18H13F5N2O2
Molecular Weight384.30 g/mol
Exact Mass384.09
IUPAC NameN-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H13F5N2O2/c19-13-2-1-3-14(20)16(13)24-17(27)10-8-15(26)25(9-10)12-6-4-11(5-7-12)18(21,22)23/h1-7,10H,8-9H2,(H,24,27)
InChIKeyBFSHIZOILJGHKU-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188729
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
1-(4-acetylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188969
N-(2-cyanophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188756
5-oxo-1-(4-propan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186713
(3R)-1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1102170
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46538902

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113188760) is N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1c(F)cccc1F)C1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BFSHIZOILJGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O2/c19-13-2-1-3-14(20)16(13)24-17(27)10-8-15(26)25(9-10)12-6-4-11(5-7-12)18(21,22)23/h1-7,10H,8-9H2,(H,24,27).
What are the key properties of N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).