3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

C21H21F4N3O2 — CID 42169174

IUPAC3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@H](c1ccccn1)C(F)(F)F
InChIInChI=1S/C21H21F4N3O2/c22-15-6-4-14(5-7-15)13-20(11-9-18(30)28-20)10-8-17(29)27-19(21(23,24)25)16-3-1-2-12-26-16/h1-7,12,19H,8-11,13H2,(H,27,29)(H,28,30)/t19-,20+/m1/s1
InChIKeyYXDYLLUIWFCAMY-UXHICEINSA-N
MW423.41 g/mol
LogP3.61
Rot. Bonds7

About 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (PubChem CID 42169174) has the molecular formula C21H21F4N3O2 and a molecular weight of 423.41 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
PubChem CID42169174
Molecular FormulaC21H21F4N3O2
Molecular Weight423.41 g/mol
Exact Mass423.16
IUPAC Name3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@H](c1ccccn1)C(F)(F)F
InChIInChI=1S/C21H21F4N3O2/c22-15-6-4-14(5-7-15)13-20(11-9-18(30)28-20)10-8-17(29)27-19(21(23,24)25)16-3-1-2-12-26-16/h1-7,12,19H,8-11,13H2,(H,27,29)(H,28,30)/t19-,20+/m1/s1
InChIKeyYXDYLLUIWFCAMY-UXHICEINSA-N
XLogP3.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
CID 42276944
3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide
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3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
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CID 42453177
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CID 42440951
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CID 45238839
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CID 42538319
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
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N-[2-(2-fluorophenyl)ethyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 26403121
3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-6-ylmethyl)propanamide
CID 45240828
(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 42480761
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 42366710

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (CID 42169174) is 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@H](c1ccccn1)C(F)(F)F.
What is the InChIKey of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?
The InChIKey is YXDYLLUIWFCAMY-UXHICEINSA-N. The full InChI is InChI=1S/C21H21F4N3O2/c22-15-6-4-14(5-7-15)13-20(11-9-18(30)28-20)10-8-17(29)27-19(21(23,24)25)16-3-1-2-12-26-16/h1-7,12,19H,8-11,13H2,(H,27,29)(H,28,30)/t19-,20+/m1/s1.
What are the key properties of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide has a molecular weight of 423.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 42169174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).