N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide

C17H21ClN2O4 — CID 3711227

IUPACN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
SMILESCCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O4/c1-2-3-4-5-6-15(21)20(24)14-11-16(22)19(17(14)23)13-9-7-12(18)8-10-13/h7-10,14,24H,2-6,11H2,1H3
InChIKeyBUBNWQTYHRMCGT-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.16
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide (PubChem CID 3711227) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
PubChem CID3711227
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC NameN-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
SMILESCCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O4/c1-2-3-4-5-6-15(21)20(24)14-11-16(22)19(17(14)23)13-9-7-12(18)8-10-13/h7-10,14,24H,2-6,11H2,1H3
InChIKeyBUBNWQTYHRMCGT-UHFFFAOYSA-N
XLogP3.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide (CID 3711227) is N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide is CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide?
The InChIKey is BUBNWQTYHRMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-2-3-4-5-6-15(21)20(24)14-11-16(22)19(17(14)23)13-9-7-12(18)8-10-13/h7-10,14,24H,2-6,11H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide?
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide has a molecular weight of 352.82 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 3711227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).