N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide

C16H19F3N2O2 — CID 99715090

IUPACN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-3-1-2-10(6-11)14-7-13(22)8-21(14)9-15(23)20-12-4-5-12/h1-3,6,12-14,22H,4-5,7-9H2,(H,20,23)/t13-,14-/m0/s1
InChIKeySTBYBLWWFQMKRU-KBPBESRZSA-N
MW328.33 g/mol
LogP2.09
Rot. Bonds4

About N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide

N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide (PubChem CID 99715090) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
PubChem CID99715090
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-3-1-2-10(6-11)14-7-13(22)8-21(14)9-15(23)20-12-4-5-12/h1-3,6,12-14,22H,4-5,7-9H2,(H,20,23)/t13-,14-/m0/s1
InChIKeySTBYBLWWFQMKRU-KBPBESRZSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide (CID 99715090) is N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide is O=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide?
The InChIKey is STBYBLWWFQMKRU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)11-3-1-2-10(6-11)14-7-13(22)8-21(14)9-15(23)20-12-4-5-12/h1-3,6,12-14,22H,4-5,7-9H2,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide?
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 99715090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).