N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C20H19F3N2O4 — CID 49089783

IUPACN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(O)c1ccc(OC(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-16-8-6-13(7-9-16)17(26)12-24-19(28)14-3-1-4-15(11-14)25-10-2-5-18(25)27/h1,3-4,6-9,11,17,26H,2,5,10,12H2,(H,24,28)
InChIKeyPPMFNTLHSBMVMI-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.18
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 49089783) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID49089783
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCC(O)c1ccc(OC(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)29-16-8-6-13(7-9-16)17(26)12-24-19(28)14-3-1-4-15(11-14)25-10-2-5-18(25)27/h1,3-4,6-9,11,17,26H,2,5,10,12H2,(H,24,28)
InChIKeyPPMFNTLHSBMVMI-UHFFFAOYSA-N
XLogP3.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
3-(2-oxopyrrolidin-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86928853

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 49089783) is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCC(O)c1ccc(OC(F)(F)F)cc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is PPMFNTLHSBMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)29-16-8-6-13(7-9-16)17(26)12-24-19(28)14-3-1-4-15(11-14)25-10-2-5-18(25)27/h1,3-4,6-9,11,17,26H,2,5,10,12H2,(H,24,28).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 408.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 49089783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).