N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C20H21FN2O5 — CID 166073875

IUPACN-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(OC)c(NC(=O)C3CCC(=O)N3C)c2)cc1F
InChIInChI=1S/C20H21FN2O5/c1-23-16(6-9-19(23)24)20(25)22-15-11-13(5-8-18(15)27-3)28-12-4-7-17(26-2)14(21)10-12/h4-5,7-8,10-11,16H,6,9H2,1-3H3,(H,22,25)
InChIKeyZPVULZHQMXVIBH-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.19
Rot. Bonds6

About N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073875) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166073875
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC NameN-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(OC)c(NC(=O)C3CCC(=O)N3C)c2)cc1F
InChIInChI=1S/C20H21FN2O5/c1-23-16(6-9-19(23)24)20(25)22-15-11-13(5-8-18(15)27-3)28-12-4-7-17(26-2)14(21)10-12/h4-5,7-8,10-11,16H,6,9H2,1-3H3,(H,22,25)
InChIKeyZPVULZHQMXVIBH-UHFFFAOYSA-N
XLogP3.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
(2S)-N-[5-(3,4-difluorophenoxy)-2,3-dihydro-1-benzofuran-7-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073781
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073602
(2R)-N-[7-(3,4-difluorophenoxy)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074124
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166073875) is N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(Oc2ccc(OC)c(NC(=O)C3CCC(=O)N3C)c2)cc1F.
What is the InChIKey of N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZPVULZHQMXVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-23-16(6-9-19(23)24)20(25)22-15-11-13(5-8-18(15)27-3)28-12-4-7-17(26-2)14(21)10-12/h4-5,7-8,10-11,16H,6,9H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).