3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide

C20H22F3N3O2 — CID 120613181

IUPAC3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)28-17-6-3-5-16(12-17)26-11-10-15(13-26)25-19(27)9-8-14-4-1-2-7-18(14)24/h1-7,12,15H,8-11,13,24H2,(H,25,27)
InChIKeySFXJVJKJZJPWMF-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.50
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide

3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 120613181) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
PubChem CID120613181
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)28-17-6-3-5-16(12-17)26-11-10-15(13-26)25-19(27)9-8-14-4-1-2-7-18(14)24/h1-7,12,15H,8-11,13,24H2,(H,25,27)
InChIKeySFXJVJKJZJPWMF-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
1-(2-fluoroethyl)-3-[(3S)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 125140707
N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96547281
N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
CID 119886059
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide (CID 120613181) is 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide is Nc1ccccc1CCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is SFXJVJKJZJPWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)28-17-6-3-5-16(12-17)26-11-10-15(13-26)25-19(27)9-8-14-4-1-2-7-18(14)24/h1-7,12,15H,8-11,13,24H2,(H,25,27).
What are the key properties of 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide?
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 393.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 120613181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).