2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide

C15H18ClN3O3 — CID 113201452

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H18ClN3O3/c1-18(2)7-3-6-17-13(20)9-19-14(21)11-5-4-10(16)8-12(11)15(19)22/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyMKHGSPFCJZJMLN-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.00
Rot. Bonds6

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113201452) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113201452
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C15H18ClN3O3/c1-18(2)7-3-6-17-13(20)9-19-14(21)11-5-4-10(16)8-12(11)15(19)22/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeyMKHGSPFCJZJMLN-UHFFFAOYSA-N
XLogP1.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
N-[2-(dimethylamino)ethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 110839142
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 113201465
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 39067406
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-[3-(dimethylamino)propyl]urea
CID 108889864
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 113201452) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CN1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is MKHGSPFCJZJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-18(2)7-3-6-17-13(20)9-19-14(21)11-5-4-10(16)8-12(11)15(19)22/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113201452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).