methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

C14H15F3N2O3 — CID 110754577

IUPACmethyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-22-13(21)19-8-4-7-11(19)12(20)18-10-6-3-2-5-9(10)14(15,16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,20)
InChIKeySWJVULDCTJRUBV-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.87
Rot. Bonds2

About methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110754577) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID110754577
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Namemethyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O3/c1-22-13(21)19-8-4-7-11(19)12(20)18-10-6-3-2-5-9(10)14(15,16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,20)
InChIKeySWJVULDCTJRUBV-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 1443259
2-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 42758075
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
(2R)-2-(4-methylpiperazine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95784316
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126009168
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
tert-butyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3136691

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (CID 110754577) is methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SWJVULDCTJRUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-22-13(21)19-8-4-7-11(19)12(20)18-10-6-3-2-5-9(10)14(15,16)17/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 316.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110754577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).