N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C14H14Cl2N2O3 — CID 17034956

IUPACN-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O3/c15-9-3-4-10(16)11(8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyMHBKYRVYFHUVDR-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.86
Rot. Bonds5

About N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 17034956) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID17034956
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC NameN-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H14Cl2N2O3/c15-9-3-4-10(16)11(8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19)
InChIKeyMHBKYRVYFHUVDR-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dichlorophenyl)butanamide
CID 8817320
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
6-[(1S,2R,6R,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(2,5-dichlorophenyl)hexanamide
CID 98105983
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 17034956) is N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is MHBKYRVYFHUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c15-9-3-4-10(16)11(8-9)17-12(19)2-1-7-18-13(20)5-6-14(18)21/h3-4,8H,1-2,5-7H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 329.18 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 17034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).