N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C14H16ClN3O3 — CID 61236635

IUPACN-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)Nc2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C14H16ClN3O3/c1-8-6-13(20)18(14(8)21)5-4-12(19)17-11-3-2-9(16)7-10(11)15/h2-3,7-8H,4-6,16H2,1H3,(H,17,19)
InChIKeyXSZCJZZEEAGRKX-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.65
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 61236635) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID61236635
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)Nc2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C14H16ClN3O3/c1-8-6-13(20)18(14(8)21)5-4-12(19)17-11-3-2-9(16)7-10(11)15/h2-3,7-8H,4-6,16H2,1H3,(H,17,19)
InChIKeyXSZCJZZEEAGRKX-UHFFFAOYSA-N
XLogP1.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 61236635) is N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC1CC(=O)N(CCC(=O)Nc2ccc(N)cc2Cl)C1=O.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is XSZCJZZEEAGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-6-13(20)18(14(8)21)5-4-12(19)17-11-3-2-9(16)7-10(11)15/h2-3,7-8H,4-6,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 309.75 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 61236635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).