(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H18F2N2O3 — CID 10044051

IUPAC(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3F)cc2)C1
InChIInChI=1S/C19H18F2N2O3/c1-22-19(25)12-9-18(24)23(10-12)13-5-7-14(8-6-13)26-11-15-16(20)3-2-4-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeySHLKNRWKCSBHDX-GFCCVEGCSA-N
MW360.36 g/mol
LogP2.64
Rot. Bonds5

About (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 10044051) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID10044051
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3F)cc2)C1
InChIInChI=1S/C19H18F2N2O3/c1-22-19(25)12-9-18(24)23(10-12)13-5-7-14(8-6-13)26-11-15-16(20)3-2-4-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeySHLKNRWKCSBHDX-GFCCVEGCSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 7282872
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-1-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 7477557
(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 7477511
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
1-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 6493074
(3S)-N-methyl-5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 40977684
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51933925
(3S)-1-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615651
(3S)-1-(4-ethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 7910780

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 10044051) is (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3F)cc2)C1.
What is the InChIKey of (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SHLKNRWKCSBHDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-22-19(25)12-9-18(24)23(10-12)13-5-7-14(8-6-13)26-11-15-16(20)3-2-4-17(15)21/h2-8,12H,9-11H2,1H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 10044051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).