(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide

C14H16F4N2O2 — CID 128979038

IUPAC(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C14H16F4N2O2/c1-22-10-5-12(19-7-10)13(21)20-6-8-2-3-9(15)4-11(8)14(16,17)18/h2-4,10,12,19H,5-7H2,1H3,(H,20,21)/t10-,12-/m0/s1
InChIKeyFHLUCGKJFAIJSM-JQWIXIFHSA-N
MW320.29 g/mol
LogP1.84
Rot. Bonds4

About (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128979038) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128979038
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C14H16F4N2O2/c1-22-10-5-12(19-7-10)13(21)20-6-8-2-3-9(15)4-11(8)14(16,17)18/h2-4,10,12,19H,5-7H2,1H3,(H,20,21)/t10-,12-/m0/s1
InChIKeyFHLUCGKJFAIJSM-JQWIXIFHSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119752914
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81366720

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide (CID 128979038) is (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@@H]1CN[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1.
What is the InChIKey of (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is FHLUCGKJFAIJSM-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H16F4N2O2/c1-22-10-5-12(19-7-10)13(21)20-6-8-2-3-9(15)4-11(8)14(16,17)18/h2-4,10,12,19H,5-7H2,1H3,(H,20,21)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 320.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128979038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).