3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide

C17H23F3N2O2 — CID 122150335

IUPAC3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC(CO)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)15(13-3-5-14(6-4-13)17(18,19)20)21-16(24)22-8-7-12(9-22)10-23/h3-6,11-12,15,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyUVTSVFLKLRPTCN-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.43
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide (PubChem CID 122150335) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
PubChem CID122150335
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC(CO)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)15(13-3-5-14(6-4-13)17(18,19)20)21-16(24)22-8-7-12(9-22)10-23/h3-6,11-12,15,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyUVTSVFLKLRPTCN-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
CID 99832587
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide (CID 122150335) is 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide is CC(C)C(NC(=O)N1CCC(CO)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide?
The InChIKey is UVTSVFLKLRPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(2)15(13-3-5-14(6-4-13)17(18,19)20)21-16(24)22-8-7-12(9-22)10-23/h3-6,11-12,15,23H,7-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 122150335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).