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

C19H19F2N3O2 — CID 71838705

IUPAC1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(F)c3C)C2=O)ccc1F
InChIInChI=1S/C19H19F2N3O2/c1-11-10-13(6-7-14(11)20)24-9-8-17(18(24)25)23-19(26)22-16-5-3-4-15(21)12(16)2/h3-7,10,17H,8-9H2,1-2H3,(H2,22,23,26)
InChIKeyCMRSVSUKRNJKTJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.51
Rot. Bonds3

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

1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 71838705) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID71838705
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(F)c3C)C2=O)ccc1F
InChIInChI=1S/C19H19F2N3O2/c1-11-10-13(6-7-14(11)20)24-9-8-17(18(24)25)23-19(26)22-16-5-3-4-15(21)12(16)2/h3-7,10,17H,8-9H2,1-2H3,(H2,22,23,26)
InChIKeyCMRSVSUKRNJKTJ-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838702
1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838784
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
1-(2-bromophenyl)-3-[1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]urea
CID 22327593
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 71838705) is 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea is Cc1cc(N2CCC(NC(=O)Nc3cccc(F)c3C)C2=O)ccc1F.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is CMRSVSUKRNJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11-10-13(6-7-14(11)20)24-9-8-17(18(24)25)23-19(26)22-16-5-3-4-15(21)12(16)2/h3-7,10,17H,8-9H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 359.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 71838705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).