(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C14H17F3N2O2 — CID 156694647

IUPAC(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C14H17F3N2O2/c1-19(21-2)13(20)12-7-10(8-18-12)9-3-5-11(6-4-9)14(15,16)17/h3-6,10,12,18H,7-8H2,1-2H3/t10?,12-/m0/s1
InChIKeyDRWFCNIUBKPBEH-KFJBMODSSA-N
MW302.30 g/mol
LogP2.17
Rot. Bonds3

About (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 156694647) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID156694647
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C14H17F3N2O2/c1-19(21-2)13(20)12-7-10(8-18-12)9-3-5-11(6-4-9)14(15,16)17/h3-6,10,12,18H,7-8H2,1-2H3/t10?,12-/m0/s1
InChIKeyDRWFCNIUBKPBEH-KFJBMODSSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.17
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

methyl (2S,5S)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530381
methyl (2S,5R)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530377
methyl (2R,5R)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530379
(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 130686259
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
ethyl 6-[(2S)-2-[methoxy(methyl)carbamoyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 156694681
N-methoxy-N,4-dimethylpiperidine-2-carboxamide
CID 114423776
ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 143569533
methyl (2S,4R)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 126969437
N-methoxy-N-methyl-3-[(3R,5S)-5-methylpyrrolidin-3-yl]benzamide
CID 125458149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 156694647) is (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CON(C)C(=O)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DRWFCNIUBKPBEH-KFJBMODSSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-19(21-2)13(20)12-7-10(8-18-12)9-3-5-11(6-4-9)14(15,16)17/h3-6,10,12,18H,7-8H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156694647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).