N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H23F3N4O5 — CID 24545266

IUPACN-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H23F3N4O5/c1-29(14-19(31)28-16-6-10-18(11-7-16)35-23(24,25)26)21(33)13-27-22(34)15-4-8-17(9-5-15)30-12-2-3-20(30)32/h4-11H,2-3,12-14H2,1H3,(H,27,34)(H,28,31)
InChIKeyFIQWEKKEHZEIBH-UHFFFAOYSA-N
MW492.45 g/mol
LogP2.54
Rot. Bonds8

About N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24545266) has the molecular formula C23H23F3N4O5 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24545266
Molecular FormulaC23H23F3N4O5
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC NameN-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H23F3N4O5/c1-29(14-19(31)28-16-6-10-18(11-7-16)35-23(24,25)26)21(33)13-27-22(34)15-4-8-17(9-5-15)30-12-2-3-20(30)32/h4-11H,2-3,12-14H2,1H3,(H,27,34)(H,28,31)
InChIKeyFIQWEKKEHZEIBH-UHFFFAOYSA-N
XLogP2.54
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 31211499
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24545266) is N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FIQWEKKEHZEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O5/c1-29(14-19(31)28-16-6-10-18(11-7-16)35-23(24,25)26)21(33)13-27-22(34)15-4-8-17(9-5-15)30-12-2-3-20(30)32/h4-11H,2-3,12-14H2,1H3,(H,27,34)(H,28,31).
What are the key properties of N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 492.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24545266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).