1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea

C14H14ClN3O3 — CID 113082293

IUPAC1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)NC1CC1
InChIInChI=1S/C14H14ClN3O3/c15-8-1-4-10-11(7-8)13(20)18(12(10)19)6-5-16-14(21)17-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H2,16,17,21)
InChIKeyDBJJDELRLLENNJ-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea

1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea (PubChem CID 113082293) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
PubChem CID113082293
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)NC1CC1
InChIInChI=1S/C14H14ClN3O3/c15-8-1-4-10-11(7-8)13(20)18(12(10)19)6-5-16-14(21)17-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H2,16,17,21)
InChIKeyDBJJDELRLLENNJ-UHFFFAOYSA-N
XLogP1.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.40
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

4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
1-(3-chloro-4-fluorophenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875010
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
CID 113082296
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
ethyl 4-[[2-(5-chloro-1,3-dioxoisoindol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 113201492
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
5-bromo-2-[2-(cyclopropylamino)ethyl]isoindole-1,3-dione
CID 62664321
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea (CID 113082293) is 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea is O=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)NC1CC1.
What is the InChIKey of 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea?
The InChIKey is DBJJDELRLLENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-8-1-4-10-11(7-8)13(20)18(12(10)19)6-5-16-14(21)17-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H2,16,17,21).
What are the key properties of 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea?
1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea has a molecular weight of 307.74 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea is sourced from PubChem (CID 113082293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).