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

C24H17N3O4 — CID 19259042

IUPAC1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H17N3O4/c1-13(27-22(29)18-8-4-5-9-19(18)23(27)30)25-24(31)26-14-10-11-16-15-6-2-3-7-17(15)21(28)20(16)12-14/h2-13H,1H3,(H2,25,26,31)
InChIKeyGLYONBFVNFWBBN-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.66
Rot. Bonds3

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

1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea (PubChem CID 19259042) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea.

Molecular Properties

Compound Name1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
PubChem CID19259042
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H17N3O4/c1-13(27-22(29)18-8-4-5-9-19(18)23(27)30)25-24(31)26-14-10-11-16-15-6-2-3-7-17(15)21(28)20(16)12-14/h2-13H,1H3,(H2,25,26,31)
InChIKeyGLYONBFVNFWBBN-UHFFFAOYSA-N
XLogP3.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.66
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-[(1R)-1-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]ethyl]-3-(9-oxofluoren-2-yl)urea
CID 98305346
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259078
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
CID 70491121
2-[(9,10-dioxoanthracen-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 4966865
2-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)carbamoylamino]-3-methylbutanoic acid
CID 108872110
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274
(2S)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(9-oxofluoren-2-yl)propanamide
CID 98208570
1-benzyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The IUPAC name of 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea (CID 19259042) is 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea.
What is the SMILES notation for 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The canonical SMILES for 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea is CC(NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
The InChIKey is GLYONBFVNFWBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c1-13(27-22(29)18-8-4-5-9-19(18)23(27)30)25-24(31)26-14-10-11-16-15-6-2-3-7-17(15)21(28)20(16)12-14/h2-13H,1H3,(H2,25,26,31).
What are the key properties of 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea?
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea has a molecular weight of 411.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea is sourced from PubChem (CID 19259042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).