(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C13H15F3N2O3 — CID 95784287

IUPAC(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H15F3N2O3/c1-21-10-4-2-3-9(7-10)17-11(19)18-6-5-12(20,8-18)13(14,15)16/h2-4,7,20H,5-6,8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyUPPJDEPPQNMJGW-GFCCVEGCSA-N
MW304.27 g/mol
LogP2.23
Rot. Bonds2

About (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 95784287) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID95784287
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H15F3N2O3/c1-21-10-4-2-3-9(7-10)17-11(19)18-6-5-12(20,8-18)13(14,15)16/h2-4,7,20H,5-6,8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyUPPJDEPPQNMJGW-GFCCVEGCSA-N
XLogP2.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980704
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980701
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
(3S,4S)-4-benzyl-3-hydroxy-1-[(3-methoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 155919133
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 95784287) is (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1.
What is the InChIKey of (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is UPPJDEPPQNMJGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-21-10-4-2-3-9(7-10)17-11(19)18-6-5-12(20,8-18)13(14,15)16/h2-4,7,20H,5-6,8H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95784287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).