N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide

C20H19F3N2O3 — CID 10340457

IUPACN-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H19F3N2O3/c1-13(26)24-16-10-19(27)25(11-16)17-6-8-18(9-7-17)28-12-14-2-4-15(5-3-14)20(21,22)23/h2-9,16H,10-12H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyDUCVLJAMSATGNV-INIZCTEOSA-N
MW392.38 g/mol
LogP3.53
Rot. Bonds5

About N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide

N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 10340457) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide
PubChem CID10340457
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C20H19F3N2O3/c1-13(26)24-16-10-19(27)25(11-16)17-6-8-18(9-7-17)28-12-14-2-4-15(5-3-14)20(21,22)23/h2-9,16H,10-12H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyDUCVLJAMSATGNV-INIZCTEOSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide (CID 10340457) is N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C1.
What is the InChIKey of N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DUCVLJAMSATGNV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13(26)24-16-10-19(27)25(11-16)17-6-8-18(9-7-17)28-12-14-2-4-15(5-3-14)20(21,22)23/h2-9,16H,10-12H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 10340457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).