1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C13H14F3N3O2 — CID 150068062

IUPAC1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-5-9(6-4-8)18-12(21)19-7-1-2-10(19)11(17)20/h3-6,10H,1-2,7H2,(H2,17,20)(H,18,21)
InChIKeyDORQSONWBWATDJ-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.19
Rot. Bonds2

About 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 150068062) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID150068062
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-5-9(6-4-8)18-12(21)19-7-1-2-10(19)11(17)20/h3-6,10H,1-2,7H2,(H2,17,20)(H,18,21)
InChIKeyDORQSONWBWATDJ-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
(2S)-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 58874784
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
2-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 175374032
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
1-O-tert-butyl 2-O-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908638
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 150068062) is 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is NC(=O)C1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is DORQSONWBWATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)8-3-5-9(6-4-8)18-12(21)19-7-1-2-10(19)11(17)20/h3-6,10H,1-2,7H2,(H2,17,20)(H,18,21).
What are the key properties of 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 150068062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).