N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H17F3N2O2 — CID 63708573

IUPACN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)cc1
InChIInChI=1S/C14H17F3N2O2/c1-21-11-4-2-10(3-5-11)8-19-12(20)13(14(15,16)17)6-7-18-9-13/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyUOVONEIRNPCZAO-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.85
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708573) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708573
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)cc1
InChIInChI=1S/C14H17F3N2O2/c1-21-11-4-2-10(3-5-11)8-19-12(20)13(14(15,16)17)6-7-18-9-13/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyUOVONEIRNPCZAO-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572885
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708573) is N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UOVONEIRNPCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-11-4-2-10(3-5-11)8-19-12(20)13(14(15,16)17)6-7-18-9-13/h2-5,18H,6-9H2,1H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).