N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C13H15F3N2O2 — CID 63007077

IUPACN-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-20-9-2-3-11(10(6-9)13(14,15)16)18-12(19)8-4-5-17-7-8/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19)
InChIKeyUTFIUAKEEGLIMU-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.26
Rot. Bonds3

About N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63007077) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63007077
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-20-9-2-3-11(10(6-9)13(14,15)16)18-12(19)8-4-5-17-7-8/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19)
InChIKeyUTFIUAKEEGLIMU-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378337
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
CID 138562720
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 63007077) is N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CCNC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UTFIUAKEEGLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-9-2-3-11(10(6-9)13(14,15)16)18-12(19)8-4-5-17-7-8/h2-3,6,8,17H,4-5,7H2,1H3,(H,18,19).
What are the key properties of N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).