1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide

C25H28F4N2O2 — CID 121313649

IUPAC1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C25H28F4N2O2/c26-20-9-7-19(8-10-20)23(11-4-12-23)22(32)30-16-21(15-18-5-2-1-3-6-18)31-14-13-24(33,17-31)25(27,28)29/h1-3,5-10,21,33H,4,11-17H2,(H,30,32)
InChIKeyWSJNOMFLZGTWKZ-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide (PubChem CID 121313649) has the molecular formula C25H28F4N2O2 and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide
PubChem CID121313649
Molecular FormulaC25H28F4N2O2
Molecular Weight464.50 g/mol
Exact Mass464.21
IUPAC Name1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C25H28F4N2O2/c26-20-9-7-19(8-10-20)23(11-4-12-23)22(32)30-16-21(15-18-5-2-1-3-6-18)31-14-13-24(33,17-31)25(27,28)29/h1-3,5-10,21,33H,4,11-17H2,(H,30,32)
InChIKeyWSJNOMFLZGTWKZ-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(4-fluorophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 52940879
2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl)-N,2-dimethylpropanamide
CID 52946919
(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 49796973
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
CID 134141534
1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
CID 134157451
4-tert-butyl-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
CID 145976550
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-1-methylcyclohexane-1-carboxamide
CID 145977293
1-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-2-[3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclopentane-1-carboxamide
CID 145977562
1-(4-fluorophenyl)-N-[3-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]propyl]cyclopentane-1-carboxamide
CID 145970513
N-[3-(3-Fluorophenyl)-2-(2-oxopyrrolidin-1-YL)propyl]-2-phenylacetamide
CID 71784594
N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 145963901
2-(4-tert-butylphenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]acetamide
CID 145974399

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide (CID 121313649) is 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide is O=C(NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)C1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide?
The InChIKey is WSJNOMFLZGTWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N2O2/c26-20-9-7-19(8-10-20)23(11-4-12-23)22(32)30-16-21(15-18-5-2-1-3-6-18)31-14-13-24(33,17-31)25(27,28)29/h1-3,5-10,21,33H,4,11-17H2,(H,30,32).
What are the key properties of 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-phenylpropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 121313649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).