1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea

C20H22FN3O3 — CID 95101423

IUPAC1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(F)c(C)c3)C2=O)c1
InChIInChI=1S/C20H22FN3O3/c1-13-10-15(6-7-17(13)21)24-9-8-18(19(24)25)23-20(26)22-12-14-4-3-5-16(11-14)27-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H2,22,23,26)/t18-/m0/s1
InChIKeyLNQMYDBAAHMDBI-SFHVURJKSA-N
MW371.41 g/mol
LogP2.75
Rot. Bonds5

About 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea

1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 95101423) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID95101423
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(F)c(C)c3)C2=O)c1
InChIInChI=1S/C20H22FN3O3/c1-13-10-15(6-7-17(13)21)24-9-8-18(19(24)25)23-20(26)22-12-14-4-3-5-16(11-14)27-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H2,22,23,26)/t18-/m0/s1
InChIKeyLNQMYDBAAHMDBI-SFHVURJKSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 53166809
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 42952530
1-[(4-fluoro-3-methylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111250125
3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
CID 136524635
methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
CID 10451017
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 71838762
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea (CID 95101423) is 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(F)c(C)c3)C2=O)c1.
What is the InChIKey of 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is LNQMYDBAAHMDBI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13-10-15(6-7-17(13)21)24-9-8-18(19(24)25)23-20(26)22-12-14-4-3-5-16(11-14)27-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H2,22,23,26)/t18-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea?
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 371.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 95101423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).