2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide

C17H23F3N2O2 — CID 111428204

IUPAC2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
SMILESCCCC(NC(=O)N1CCCC1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c1-2-5-15(12-6-3-7-13(10-12)17(18,19)20)21-16(24)22-9-4-8-14(22)11-23/h3,6-7,10,14-15,23H,2,4-5,8-9,11H2,1H3,(H,21,24)
InChIKeyVBUCMTWUBKAGHS-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.71
Rot. Bonds5

About 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide (PubChem CID 111428204) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
PubChem CID111428204
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
SMILESCCCC(NC(=O)N1CCCC1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c1-2-5-15(12-6-3-7-13(10-12)17(18,19)20)21-16(24)22-9-4-8-14(22)11-23/h3,6-7,10,14-15,23H,2,4-5,8-9,11H2,1H3,(H,21,24)
InChIKeyVBUCMTWUBKAGHS-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119648935
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119466508
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99698023
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide (CID 111428204) is 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide is CCCC(NC(=O)N1CCCC1CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide?
The InChIKey is VBUCMTWUBKAGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-2-5-15(12-6-3-7-13(10-12)17(18,19)20)21-16(24)22-9-4-8-14(22)11-23/h3,6-7,10,14-15,23H,2,4-5,8-9,11H2,1H3,(H,21,24).
What are the key properties of 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).