1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea

C24H17N3O4 — CID 19259078

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
SMILESO=C(NCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H17N3O4/c28-21-17-6-2-1-5-15(17)16-10-9-14(13-20(16)21)26-24(31)25-11-12-27-22(29)18-7-3-4-8-19(18)23(27)30/h1-10,13H,11-12H2,(H2,25,26,31)
InChIKeyDNJBMDMUOKJORC-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea (PubChem CID 19259078) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
PubChem CID19259078
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
SMILESO=C(NCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H17N3O4/c28-21-17-6-2-1-5-15(17)16-10-9-14(13-20(16)21)26-24(31)25-11-12-27-22(29)18-7-3-4-8-19(18)23(27)30/h1-10,13H,11-12H2,(H2,25,26,31)
InChIKeyDNJBMDMUOKJORC-UHFFFAOYSA-N
XLogP3.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875010
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 19259064
methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874981
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259042
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
1-(4-bromo-3-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889613
1-(2,6-diethylphenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874868
1-(3-methylbutyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872701
1-benzhydryl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874846
1-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylurea
CID 113082169
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-hydroxy-5-methylphenyl)urea
CID 108874935
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(3-phenylpropyl)urea
CID 108872760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea (CID 19259078) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea is O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The InChIKey is DNJBMDMUOKJORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-21-17-6-2-1-5-15(17)16-10-9-14(13-20(16)21)26-24(31)25-11-12-27-22(29)18-7-3-4-8-19(18)23(27)30/h1-10,13H,11-12H2,(H2,25,26,31).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea has a molecular weight of 411.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea is sourced from PubChem (CID 19259078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).