1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea

C19H18FN3O3 — CID 108875104

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18FN3O3/c20-14-5-3-4-13(12-14)8-9-21-19(26)22-10-11-23-17(24)15-6-1-2-7-16(15)18(23)25/h1-7,12H,8-11H2,(H2,21,22,26)
InChIKeyBCEHLHMTTZTINF-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 108875104) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID108875104
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18FN3O3/c20-14-5-3-4-13(12-14)8-9-21-19(26)22-10-11-23-17(24)15-6-1-2-7-16(15)18(23)25/h1-7,12H,8-11H2,(H2,21,22,26)
InChIKeyBCEHLHMTTZTINF-UHFFFAOYSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108875100
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[(4-bromophenyl)methyl]-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875097
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
1-[2-(3-fluorophenyl)ethyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 55922334
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea (CID 108875104) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea is O=C(NCCc1cccc(F)c1)NCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is BCEHLHMTTZTINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-14-5-3-4-13(12-14)8-9-21-19(26)22-10-11-23-17(24)15-6-1-2-7-16(15)18(23)25/h1-7,12H,8-11H2,(H2,21,22,26).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 355.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108875104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).