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

C14H17F3N2O2 — CID 79378337

IUPACN-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2C)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-8-10(5-6-18-8)13(20)19-12-4-3-9(21-2)7-11(12)14(15,16)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H,19,20)
InChIKeyQORJHZLNZCVZEU-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.65
Rot. Bonds3

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

N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79378337) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79378337
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2C)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-8-10(5-6-18-8)13(20)19-12-4-3-9(21-2)7-11(12)14(15,16)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H,19,20)
InChIKeyQORJHZLNZCVZEU-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007077
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide (CID 79378337) is N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CCNC2C)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is QORJHZLNZCVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-10(5-6-18-8)13(20)19-12-4-3-9(21-2)7-11(12)14(15,16)17/h3-4,7-8,10,18H,5-6H2,1-2H3,(H,19,20).
What are the key properties of N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.65, 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]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79378337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).