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N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C20H21F4N3O3 — CID 153319809

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCc2ccc(C(F)(F)F)nc2)c(F)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C20H21F4N3O3/c1-29-16-8-17(30-11-12-4-5-18(26-9-12)20(22,23)24)14(21)7-13(16)10-27-19(28)15-3-2-6-25-15/h4-5,7-9,15,25H,2-3,6,10-11H2,1H3,(H,27,28)
InChIKeyTZLVXMBTHXMCNV-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.20
Rot. Bonds7

About N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 153319809) has the molecular formula C20H21F4N3O3 and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID153319809
Molecular FormulaC20H21F4N3O3
Molecular Weight427.40 g/mol
Exact Mass427.15
IUPAC NameN-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCc2ccc(C(F)(F)F)nc2)c(F)cc1CNC(=O)C1CCCN1
InChIInChI=1S/C20H21F4N3O3/c1-29-16-8-17(30-11-12-4-5-18(26-9-12)20(22,23)24)14(21)7-13(16)10-27-19(28)15-3-2-6-25-15/h4-5,7-9,15,25H,2-3,6,10-11H2,1H3,(H,27,28)
InChIKeyTZLVXMBTHXMCNV-UHFFFAOYSA-N
XLogP3.20
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 153319809) is N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is COc1cc(OCc2ccc(C(F)(F)F)nc2)c(F)cc1CNC(=O)C1CCCN1.
What is the InChIKey of N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is TZLVXMBTHXMCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3O3/c1-29-16-8-17(30-11-12-4-5-18(26-9-12)20(22,23)24)14(21)7-13(16)10-27-19(28)15-3-2-6-25-15/h4-5,7-9,15,25H,2-3,6,10-11H2,1H3,(H,27,28).
What are the key properties of N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 427.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 153319809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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