2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide

C14H13Cl2N3O4 — CID 2649006

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C14H13Cl2N3O4/c1-6(2)17-14(23)18-11(20)5-19-12(21)7-3-9(15)10(16)4-8(7)13(19)22/h3-4,6H,5H2,1-2H3,(H2,17,18,20,23)
InChIKeyTXZJTBOSZREIDW-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.82
Rot. Bonds3

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2649006) has the molecular formula C14H13Cl2N3O4 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2649006
Molecular FormulaC14H13Cl2N3O4
Molecular Weight358.18 g/mol
Exact Mass357.03
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C14H13Cl2N3O4/c1-6(2)17-14(23)18-11(20)5-19-12(21)7-3-9(15)10(16)4-8(7)13(19)22/h3-4,6H,5H2,1-2H3,(H2,17,18,20,23)
InChIKeyTXZJTBOSZREIDW-UHFFFAOYSA-N
XLogP1.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.82
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

N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708398
methyl (2R)-2-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoate
CID 8849399
methyl (2S,3R)-2-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylpentanoate
CID 8849400
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410281
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7952014
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2525364
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 8630705
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594191
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
N-(4-bromo-2,6-dimethylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 112835557
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 2649006) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is TXZJTBOSZREIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4/c1-6(2)17-14(23)18-11(20)5-19-12(21)7-3-9(15)10(16)4-8(7)13(19)22/h3-4,6H,5H2,1-2H3,(H2,17,18,20,23).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 358.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2649006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).