(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H21FN2O3 — CID 68614148

IUPAC(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3cc(F)ccc3C)cc2)C1
InChIInChI=1S/C20H21FN2O3/c1-13-3-4-16(21)9-15(13)12-26-18-7-5-17(6-8-18)23-11-14(10-19(23)24)20(25)22-2/h3-9,14H,10-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyMYHOISPDNLSJPT-AWEZNQCLSA-N
MW356.40 g/mol
LogP2.81
Rot. Bonds5

About (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 68614148) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID68614148
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3cc(F)ccc3C)cc2)C1
InChIInChI=1S/C20H21FN2O3/c1-13-3-4-16(21)9-15(13)12-26-18-7-5-17(6-8-18)23-11-14(10-19(23)24)20(25)22-2/h3-9,14H,10-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyMYHOISPDNLSJPT-AWEZNQCLSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 68614148) is (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3cc(F)ccc3C)cc2)C1.
What is the InChIKey of (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MYHOISPDNLSJPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-3-4-16(21)9-15(13)12-26-18-7-5-17(6-8-18)23-11-14(10-19(23)24)20(25)22-2/h3-9,14H,10-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 68614148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).