N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 119497270

IUPACN-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(N)CCNC(=O)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(17)5-7-18-14(20)13-6-8-19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9-10,13H,5-8,17H2,1H3,(H,18,20)
InChIKeySTQFGNGUVBTFJA-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.55
Rot. Bonds5

About N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide

N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119497270) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119497270
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC(N)CCNC(=O)C1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(17)5-7-18-14(20)13-6-8-19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9-10,13H,5-8,17H2,1H3,(H,18,20)
InChIKeySTQFGNGUVBTFJA-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 119497270) is N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is CC(N)CCNC(=O)C1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is STQFGNGUVBTFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(17)5-7-18-14(20)13-6-8-19(15(13)21)12-4-2-3-11(16)9-12/h2-4,9-10,13H,5-8,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119497270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).