1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea

C18H24FN3O3 — CID 56781513

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(=O)NCCCN1C(=O)CCC1=O)c1ccccc1F
InChIInChI=1S/C18H24FN3O3/c1-18(2,13-6-3-4-7-14(13)19)12-21-17(25)20-10-5-11-22-15(23)8-9-16(22)24/h3-4,6-7H,5,8-12H2,1-2H3,(H2,20,21,25)
InChIKeyWCEOGEHTQFLMEK-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.94
Rot. Bonds7

About 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea

1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea (PubChem CID 56781513) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea
PubChem CID56781513
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)(CNC(=O)NCCCN1C(=O)CCC1=O)c1ccccc1F
InChIInChI=1S/C18H24FN3O3/c1-18(2,13-6-3-4-7-14(13)19)12-21-17(25)20-10-5-11-22-15(23)8-9-16(22)24/h3-4,6-7H,5,8-12H2,1-2H3,(H2,20,21,25)
InChIKeyWCEOGEHTQFLMEK-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973255
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428333
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 56558876
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
N-[2-(2-fluorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea (CID 56781513) is 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea is CC(C)(CNC(=O)NCCCN1C(=O)CCC1=O)c1ccccc1F.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea?
The InChIKey is WCEOGEHTQFLMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-18(2,13-6-3-4-7-14(13)19)12-21-17(25)20-10-5-11-22-15(23)8-9-16(22)24/h3-4,6-7H,5,8-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea?
1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea has a molecular weight of 349.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea is sourced from PubChem (CID 56781513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).