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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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238432
N-(4-amino-2-chlorophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64837547
N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
CID 153342826
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(2,4-dichlorophenyl)-3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 11892046
N-(2,4-dichlorophenyl)-3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 18153921
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,4-dichlorophenyl)propanamide
CID 8815690
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
CID 63103700
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661

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).