N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

C15H8Cl3N3O3 — CID 46583227

IUPACN-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H8Cl3N3O3/c16-7-1-2-12(19-5-7)20-13(22)6-21-14(23)8-3-10(17)11(18)4-9(8)15(21)24/h1-5H,6H2,(H,19,20,22)
InChIKeySTGSQQFJLJGZEW-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.28
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 46583227) has the molecular formula C15H8Cl3N3O3 and a molecular weight of 384.61 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID46583227
Molecular FormulaC15H8Cl3N3O3
Molecular Weight384.61 g/mol
Exact Mass382.96
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H8Cl3N3O3/c16-7-1-2-12(19-5-7)20-13(22)6-21-14(23)8-3-10(17)11(18)4-9(8)15(21)24/h1-5H,6H2,(H,19,20,22)
InChIKeySTGSQQFJLJGZEW-UHFFFAOYSA-N
XLogP3.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1255270
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2525364
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763681
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
N-(4-bromo-2,6-dimethylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 112835557

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 46583227) is N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is STGSQQFJLJGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3N3O3/c16-7-1-2-12(19-5-7)20-13(22)6-21-14(23)8-3-10(17)11(18)4-9(8)15(21)24/h1-5H,6H2,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 384.61 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 46583227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).