(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

C16H19F3N2O3 — CID 51729148

IUPAC(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3/c1-10(12-5-7-13(8-6-12)24-16(17,18)19)20-15(23)14-4-3-9-21(14)11(2)22/h5-8,10,14H,3-4,9H2,1-2H3,(H,20,23)/t10-,14-/m1/s1
InChIKeyUGAQGRSPYULURH-QMTHXVAHSA-N
MW344.33 g/mol
LogP2.77
Rot. Bonds4

About (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 51729148) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID51729148
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3/c1-10(12-5-7-13(8-6-12)24-16(17,18)19)20-15(23)14-4-3-9-21(14)11(2)22/h5-8,10,14H,3-4,9H2,1-2H3,(H,20,23)/t10-,14-/m1/s1
InChIKeyUGAQGRSPYULURH-QMTHXVAHSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 86922947
1-(furan-2-carbonyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 46399806
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 86924377
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 90353917
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268044
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516209

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 51729148) is (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UGAQGRSPYULURH-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(12-5-7-13(8-6-12)24-16(17,18)19)20-15(23)14-4-3-9-21(14)11(2)22/h5-8,10,14H,3-4,9H2,1-2H3,(H,20,23)/t10-,14-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide?
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51729148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).