1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

C13H12F4N2O2 — CID 79884124

IUPAC1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H12F4N2O2/c14-10-7(3-1-4-8(10)13(15,16)17)12(21)19-6-2-5-9(19)11(18)20/h1,3-4,9H,2,5-6H2,(H2,18,20)
InChIKeyMTOKDCSNQFGKHC-UHFFFAOYSA-N
MW304.24 g/mol
LogP1.93
Rot. Bonds2

About 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 79884124) has the molecular formula C13H12F4N2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID79884124
Molecular FormulaC13H12F4N2O2
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H12F4N2O2/c14-10-7(3-1-4-8(10)13(15,16)17)12(21)19-6-2-5-9(19)11(18)20/h1,3-4,9H,2,5-6H2,(H2,18,20)
InChIKeyMTOKDCSNQFGKHC-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711890
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597192
[2-fluoro-3-(trifluoromethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81486354
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
[2-fluoro-3-(trifluoromethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 86780064
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 127266189
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733
[3-(aminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119464998
[2-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949588

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide (CID 79884124) is 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is MTOKDCSNQFGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O2/c14-10-7(3-1-4-8(10)13(15,16)17)12(21)19-6-2-5-9(19)11(18)20/h1,3-4,9H,2,5-6H2,(H2,18,20).
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide?
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 304.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79884124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).