1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H17F3N2O2 — CID 136559596

IUPAC1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NOCc2ccccc2)C(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c1-19-7-11(12(8-19)14(15,16)17)13(20)18-21-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,20)
InChIKeyDRKFIKSSAQXORH-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.97
Rot. Bonds4

About 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide

1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 136559596) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID136559596
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NOCc2ccccc2)C(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2/c1-19-7-11(12(8-19)14(15,16)17)13(20)18-21-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,20)
InChIKeyDRKFIKSSAQXORH-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-amino-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 44377596
N-benzyloxy-N-methyl-succinamide
CID 129690064
(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
CID 164674069
5-oxo-N-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55741475
1-Phenylmethoxy-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 60219373
N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64975047
(3S,4R)-4-ethyl-3-methyl-1-phenylmethoxy-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]pyrrolidin-2-one
CID 71505640
(3S,4S)-4-ethyl-3-methyl-1-phenylmethoxy-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]pyrrolidin-2-one
CID 71506538
Benzyl 3-carbamoyl-4-fluoropyrrolidine-1-carboxylate
CID 83853940
(3S)-3-methyl-1-phenylmethoxy-4-prop-1-en-2-yl-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]pyrrolidin-2-one
CID 101905199
(3S,4S)-1-(3-phenylmethoxypropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949489
(3S,4S)-1-(2-phenylmethoxyacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949528

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 136559596) is 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CN1CC(C(=O)NOCc2ccccc2)C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is DRKFIKSSAQXORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-19-7-11(12(8-19)14(15,16)17)13(20)18-21-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,20).
What are the key properties of 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenylmethoxy-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136559596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).