1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea

C18H23F2N3O2 — CID 132971826

IUPAC1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NC1CCN(C2CCC2)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3O2/c1-11(14-6-5-12(19)9-15(14)20)10-21-18(25)22-16-7-8-23(17(16)24)13-3-2-4-13/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,21,22,25)
InChIKeyHWXOJVZZJRITPP-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.52
Rot. Bonds5

About 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea

1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea (PubChem CID 132971826) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
PubChem CID132971826
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NC1CCN(C2CCC2)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3O2/c1-11(14-6-5-12(19)9-15(14)20)10-21-18(25)22-16-7-8-23(17(16)24)13-3-2-4-13/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,21,22,25)
InChIKeyHWXOJVZZJRITPP-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 100641141
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea
CID 138037578
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-oxoazepan-3-yl)urea
CID 71893342
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568534
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568535
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea
CID 155968638
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The IUPAC name of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea (CID 132971826) is 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea.
What is the SMILES notation for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The canonical SMILES for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea is CC(CNC(=O)NC1CCN(C2CCC2)C1=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The InChIKey is HWXOJVZZJRITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-11(14-6-5-12(19)9-15(14)20)10-21-18(25)22-16-7-8-23(17(16)24)13-3-2-4-13/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea has a molecular weight of 351.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea is sourced from PubChem (CID 132971826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).