1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea

C20H22FN3O3 — CID 71838789

IUPAC1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)cc1F
InChIInChI=1S/C20H22FN3O3/c1-12-4-6-15(10-13(12)2)24-9-8-17(19(24)25)23-20(26)22-14-5-7-18(27-3)16(21)11-14/h4-7,10-11,17H,8-9H2,1-3H3,(H2,22,23,26)
InChIKeyKTPZDLUTEWYAKZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.38
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea

1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea (PubChem CID 71838789) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
PubChem CID71838789
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)cc1F
InChIInChI=1S/C20H22FN3O3/c1-12-4-6-15(10-13(12)2)24-9-8-17(19(24)25)23-20(26)22-14-5-7-18(27-3)16(21)11-14/h4-7,10-11,17H,8-9H2,1-3H3,(H2,22,23,26)
InChIKeyKTPZDLUTEWYAKZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
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-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838702
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 71838764
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 7552537
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea (CID 71838789) is 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)cc1F.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea?
The InChIKey is KTPZDLUTEWYAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12-4-6-15(10-13(12)2)24-9-8-17(19(24)25)23-20(26)22-14-5-7-18(27-3)16(21)11-14/h4-7,10-11,17H,8-9H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea?
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea has a molecular weight of 371.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea is sourced from PubChem (CID 71838789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).