N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide

C23H23F3N2O4 — CID 163339566

IUPACN-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)32-20-6-2-1-5-19(20)22(30)28-13-3-4-17(28)14-31-18-11-7-15(8-12-18)21(29)27-16-9-10-16/h1-2,5-8,11-12,16-17H,3-4,9-10,13-14H2,(H,27,29)
InChIKeyZFSFZDILAADQHJ-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.16
Rot. Bonds7

About N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide

N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide (PubChem CID 163339566) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
PubChem CID163339566
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC NameN-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)32-20-6-2-1-5-19(20)22(30)28-13-3-4-17(28)14-31-18-11-7-15(8-12-18)21(29)27-16-9-10-16/h1-2,5-8,11-12,16-17H,3-4,9-10,13-14H2,(H,27,29)
InChIKeyZFSFZDILAADQHJ-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339434
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
3-[[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
CID 66961825
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide (CID 163339566) is N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide is O=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The InChIKey is ZFSFZDILAADQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c24-23(25,26)32-20-6-2-1-5-19(20)22(30)28-13-3-4-17(28)14-31-18-11-7-15(8-12-18)21(29)27-16-9-10-16/h1-2,5-8,11-12,16-17H,3-4,9-10,13-14H2,(H,27,29).
What are the key properties of N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide has a molecular weight of 448.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide is sourced from PubChem (CID 163339566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).