(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C17H21F4N3O2 — CID 97010864

IUPAC(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H21F4N3O2/c18-15-4-3-12(10-14(15)17(19,20)21)22-16(25)24-5-1-2-13(24)11-23-6-8-26-9-7-23/h3-4,10,13H,1-2,5-9,11H2,(H,22,25)/t13-/m1/s1
InChIKeyCNXAAPRINUNOKF-CYBMUJFWSA-N
MW375.37 g/mol
LogP3.17
Rot. Bonds3

About (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97010864) has the molecular formula C17H21F4N3O2 and a molecular weight of 375.37 g/mol. Its IUPAC name is (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID97010864
Molecular FormulaC17H21F4N3O2
Molecular Weight375.37 g/mol
Exact Mass375.16
IUPAC Name(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C17H21F4N3O2/c18-15-4-3-12(10-14(15)17(19,20)21)22-16(25)24-5-1-2-13(24)11-23-6-8-26-9-7-23/h3-4,10,13H,1-2,5-9,11H2,(H,22,25)/t13-/m1/s1
InChIKeyCNXAAPRINUNOKF-CYBMUJFWSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
1-(2-bicyclo[3.1.0]hexanyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-morpholin-4-ylbutyl)urea
CID 142251175
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90569312
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
CID 77437633
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 97010864) is (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CNXAAPRINUNOKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21F4N3O2/c18-15-4-3-12(10-14(15)17(19,20)21)22-16(25)24-5-1-2-13(24)11-23-6-8-26-9-7-23/h3-4,10,13H,1-2,5-9,11H2,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97010864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).