N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C16H19ClN2O3 — CID 17035040

IUPACN-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O3/c17-12-6-3-4-7-13(12)18-14(20)8-2-1-5-11-19-15(21)9-10-16(19)22/h3-4,6-7H,1-2,5,8-11H2,(H,18,20)
InChIKeyRCEQXEDFOWUYHP-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.99
Rot. Bonds7

About N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 17035040) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID17035040
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O3/c17-12-6-3-4-7-13(12)18-14(20)8-2-1-5-11-19-15(21)9-10-16(19)22/h3-4,6-7H,1-2,5,8-11H2,(H,18,20)
InChIKeyRCEQXEDFOWUYHP-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2,5-dichlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035036
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034956
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
6-[5-[3-[6-(2-chloroanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)hexanamide
CID 4756424
N-(2-chlorophenyl)-6-[(1S,2R,6R,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]hexanamide
CID 98105991
N-(2-chlorophenyl)octanamide
CID 2292983
methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzoate
CID 17034971
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 17035040) is N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is O=C(CCCCCN1C(=O)CCC1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is RCEQXEDFOWUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-12-6-3-4-7-13(12)18-14(20)8-2-1-5-11-19-15(21)9-10-16(19)22/h3-4,6-7H,1-2,5,8-11H2,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 322.79 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 17035040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).