N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide

C24H28F3N3O3 — CID 508875

IUPACN-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide
SMILESCC(C)c1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H28F3N3O3/c1-16(2)18-8-6-17(7-9-18)14-30-11-10-20(15-30)29-22(31)13-28-23(32)19-4-3-5-21(12-19)33-24(25,26)27/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKeyRHPGLBHWPPRVKK-HXUWFJFHSA-N
MW463.50 g/mol
LogP3.83
Rot. Bonds8

About N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide

N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 508875) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide
PubChem CID508875
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC NameN-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide
SMILESCC(C)c1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H28F3N3O3/c1-16(2)18-8-6-17(7-9-18)14-30-11-10-20(15-30)29-22(31)13-28-23(32)19-4-3-5-21(12-19)33-24(25,26)27/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKeyRHPGLBHWPPRVKK-HXUWFJFHSA-N
XLogP3.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 508745
N-[2-[[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 508741
N-[2-[[1-[(4-butylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 18426147
2-amino-N-[2-oxo-2-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methylamino]ethyl]-5-(trifluoromethoxy)benzamide
CID 18426226
N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 86757903
2-amino-N-[3-amino-2-oxo-3-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]propyl]-5-(trifluoromethoxy)benzamide
CID 57036588
N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 69435679
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
N-[2-oxo-2-[[(3R)-1-[2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 46840540
[5-[[(3R)-3-[[2-[[2-amino-5-(trifluoromethoxy)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]methyl]-2-methylphenyl]-carbamoyl-diethylazanium
CID 54351951
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide (CID 508875) is N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide is CC(C)c1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is RHPGLBHWPPRVKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-16(2)18-8-6-17(7-9-18)14-30-11-10-20(15-30)29-22(31)13-28-23(32)19-4-3-5-21(12-19)33-24(25,26)27/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,28,32)(H,29,31)/t20-/m1/s1.
What are the key properties of N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 463.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 508875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).