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

C20H21F3N2O2 — CID 45489246

IUPACN-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CNCC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H21F3N2O2/c1-27-16-4-2-3-13(9-16)10-25-19(26)18-12-24-11-17(18)14-5-7-15(8-6-14)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)
InChIKeyJKMUYZIVEFPNSR-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.33
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 45489246) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID45489246
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CNCC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H21F3N2O2/c1-27-16-4-2-3-13(9-16)10-25-19(26)18-12-24-11-17(18)14-5-7-15(8-6-14)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26)
InChIKeyJKMUYZIVEFPNSR-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 45489246) is N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COc1cccc(CNC(=O)C2CNCC2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is JKMUYZIVEFPNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-27-16-4-2-3-13(9-16)10-25-19(26)18-12-24-11-17(18)14-5-7-15(8-6-14)20(21,22)23/h2-9,17-18,24H,10-12H2,1H3,(H,25,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 45489246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).