N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C17H21ClN2O4 — CID 2219852

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C17H21ClN2O4/c1-24-14-7-6-12(11-13(14)18)19-15(21)5-3-2-4-10-20-16(22)8-9-17(20)23/h6-7,11H,2-5,8-10H2,1H3,(H,19,21)
InChIKeyQXUSDJYQUUOCEZ-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.00
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 2219852) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID2219852
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C17H21ClN2O4/c1-24-14-7-6-12(11-13(14)18)19-15(21)5-3-2-4-10-20-16(22)8-9-17(20)23/h6-7,11H,2-5,8-10H2,1H3,(H,19,21)
InChIKeyQXUSDJYQUUOCEZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 2219852) is N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is QXUSDJYQUUOCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-24-14-7-6-12(11-13(14)18)19-15(21)5-3-2-4-10-20-16(22)8-9-17(20)23/h6-7,11H,2-5,8-10H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 352.82 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 2219852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).