(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C19H16F4N2O3 — CID 166073744

IUPAC(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C19H16F4N2O3/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-12-4-2-11(3-5-12)19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyUZEYRFOPUZHDPB-INIZCTEOSA-N
MW396.34 g/mol
LogP4.20
Rot. Bonds4

About (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073744) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166073744
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C19H16F4N2O3/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-12-4-2-11(3-5-12)19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyUZEYRFOPUZHDPB-INIZCTEOSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
(2S)-N-[5-(3,4-difluorophenoxy)-2,3-dihydro-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073781
(2R)-N-[7-(3,4-difluorophenoxy)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074124
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074063
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
CID 166074183

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166073744) is (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1F.
What is the InChIKey of (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UZEYRFOPUZHDPB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c1-25-16(8-9-17(25)26)18(27)24-15-10-13(6-7-14(15)20)28-12-4-2-11(3-5-12)19(21,22)23/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).