N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

C14H17Cl2N3O2 — CID 119409022

IUPACN-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-5-11(16)7-12(6-10)19-8-9(4-13(19)20)14(21)18-3-1-2-17/h5-7,9H,1-4,8,17H2,(H,18,21)
InChIKeyUBWPVKUMDRRKKG-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.81
Rot. Bonds5

About N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119409022) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119409022
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-5-11(16)7-12(6-10)19-8-9(4-13(19)20)14(21)18-3-1-2-17/h5-7,9H,1-4,8,17H2,(H,18,21)
InChIKeyUBWPVKUMDRRKKG-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120832737
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119559499
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 119409022) is N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is NCCCNC(=O)C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UBWPVKUMDRRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-5-11(16)7-12(6-10)19-8-9(4-13(19)20)14(21)18-3-1-2-17/h5-7,9H,1-4,8,17H2,(H,18,21).
What are the key properties of N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119409022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).