1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea

C24H30FN3O2 — CID 10295108

IUPAC1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2(CN3CCCC3Cc3ccccc3F)CCC2)c1
InChIInChI=1S/C24H30FN3O2/c1-30-21-10-4-8-19(16-21)26-23(29)27-24(12-6-13-24)17-28-14-5-9-20(28)15-18-7-2-3-11-22(18)25/h2-4,7-8,10-11,16,20H,5-6,9,12-15,17H2,1H3,(H2,26,27,29)
InChIKeyTXYCBKWVUFLKKG-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.59
Rot. Bonds7

About 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea

1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea (PubChem CID 10295108) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea
PubChem CID10295108
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2(CN3CCCC3Cc3ccccc3F)CCC2)c1
InChIInChI=1S/C24H30FN3O2/c1-30-21-10-4-8-19(16-21)26-23(29)27-24(12-6-13-24)17-28-14-5-9-20(28)15-18-7-2-3-11-22(18)25/h2-4,7-8,10-11,16,20H,5-6,9,12-15,17H2,1H3,(H2,26,27,29)
InChIKeyTXYCBKWVUFLKKG-UHFFFAOYSA-N
XLogP4.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

1-(3-acetylphenyl)-3-[1-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]urea
CID 10224137
1-[1-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-phenylurea
CID 10200853
1-[1-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-propan-2-ylphenyl)urea
CID 10180662
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-[4-(dimethylamino)phenyl]-3-[1-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]urea
CID 10202611
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
1-[2-[(2-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 22351216
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea (CID 10295108) is 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2(CN3CCCC3Cc3ccccc3F)CCC2)c1.
What is the InChIKey of 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea?
The InChIKey is TXYCBKWVUFLKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-21-10-4-8-19(16-21)26-23(29)27-24(12-6-13-24)17-28-14-5-9-20(28)15-18-7-2-3-11-22(18)25/h2-4,7-8,10-11,16,20H,5-6,9,12-15,17H2,1H3,(H2,26,27,29).
What are the key properties of 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea?
1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea has a molecular weight of 411.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 10295108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).