N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C24H25F3N2O2 — CID 55714480

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C1CCCc2ccccc21
InChIInChI=1S/C24H25F3N2O2/c25-24(26,27)18-9-3-8-17(14-18)21(15-29-13-5-12-22(29)30)28-23(31)20-11-4-7-16-6-1-2-10-19(16)20/h1-3,6,8-10,14,20-21H,4-5,7,11-13,15H2,(H,28,31)
InChIKeySQIAZEXHSNWTHC-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55714480) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55714480
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C1CCCc2ccccc21
InChIInChI=1S/C24H25F3N2O2/c25-24(26,27)18-9-3-8-17(14-18)21(15-29-13-5-12-22(29)30)28-23(31)20-11-4-7-16-6-1-2-10-19(16)20/h1-3,6,8-10,14,20-21H,4-5,7,11-13,15H2,(H,28,31)
InChIKeySQIAZEXHSNWTHC-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
(1R)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 51948082
(3S)-3-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 51948108
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55714605
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 55714326
3-(furan-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51948079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55714480) is N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)C1CCCc2ccccc21.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is SQIAZEXHSNWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c25-24(26,27)18-9-3-8-17(14-18)21(15-29-13-5-12-22(29)30)28-23(31)20-11-4-7-16-6-1-2-10-19(16)20/h1-3,6,8-10,14,20-21H,4-5,7,11-13,15H2,(H,28,31).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55714480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).