1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea

C24H27ClFN3O2 — CID 166340555

IUPAC1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)NC3CCN(c4ccc(Cl)cc4F)C3=O)CCC2)cc1C
InChIInChI=1S/C24H27ClFN3O2/c1-15-4-5-17(12-16(15)2)24(9-3-10-24)14-27-23(31)28-20-8-11-29(22(20)30)21-7-6-18(25)13-19(21)26/h4-7,12-13,20H,3,8-11,14H2,1-2H3,(H2,27,28,31)
InChIKeyWPWGIFQNPBHENK-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.62
Rot. Bonds5

About 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea

1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea (PubChem CID 166340555) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
PubChem CID166340555
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Name1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)NC3CCN(c4ccc(Cl)cc4F)C3=O)CCC2)cc1C
InChIInChI=1S/C24H27ClFN3O2/c1-15-4-5-17(12-16(15)2)24(9-3-10-24)14-27-23(31)28-20-8-11-29(22(20)30)21-7-6-18(25)13-19(21)26/h4-7,12-13,20H,3,8-11,14H2,1-2H3,(H2,27,28,31)
InChIKeyWPWGIFQNPBHENK-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea with MolForge

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Related Compounds

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
CID 139010914
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
N-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 166246898
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-dimethylphosphorylphenyl)-2-fluoro-3-methylphenyl]-2-oxopyrrolidin-3-yl]urea
CID 147229229
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea (CID 166340555) is 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea is Cc1ccc(C2(CNC(=O)NC3CCN(c4ccc(Cl)cc4F)C3=O)CCC2)cc1C.
What is the InChIKey of 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
The InChIKey is WPWGIFQNPBHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-15-4-5-17(12-16(15)2)24(9-3-10-24)14-27-23(31)28-20-8-11-29(22(20)30)21-7-6-18(25)13-19(21)26/h4-7,12-13,20H,3,8-11,14H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea?
1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea has a molecular weight of 443.95 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 166340555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).