N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

C20H20F4N2O2 — CID 75151271

IUPACN-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C20H20F4N2O2/c1-12(14-3-2-4-15(21)9-14)26-19(27)18-11-25-10-17(18)13-5-7-16(8-6-13)28-20(22,23)24/h2-9,12,17-18,25H,10-11H2,1H3,(H,26,27)
InChIKeyNLQKNNMTAHCNFX-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.90
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 75151271) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID75151271
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1
InChIInChI=1S/C20H20F4N2O2/c1-12(14-3-2-4-15(21)9-14)26-19(27)18-11-25-10-17(18)13-5-7-16(8-6-13)28-20(22,23)24/h2-9,12,17-18,25H,10-11H2,1H3,(H,26,27)
InChIKeyNLQKNNMTAHCNFX-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623
(3S,4R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46216121
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 120918995
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
(3R,4S)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923839
(3S,4R)-4-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 46214926
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
(1S,6R)-6-[1-(3-fluorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103710105
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 75151271) is N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CNCC1c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NLQKNNMTAHCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-12(14-3-2-4-15(21)9-14)26-19(27)18-11-25-10-17(18)13-5-7-16(8-6-13)28-20(22,23)24/h2-9,12,17-18,25H,10-11H2,1H3,(H,26,27).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 75151271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).