1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

C16H19Cl2N3O3 — CID 78868255

IUPAC1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O3/c1-10(22)21-8-2-3-14(21)16(24)20-7-6-19-15(23)11-4-5-12(17)13(18)9-11/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyOEEMUSFWENSEOE-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.85
Rot. Bonds5

About 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 78868255) has the molecular formula C16H19Cl2N3O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
PubChem CID78868255
Molecular FormulaC16H19Cl2N3O3
Molecular Weight372.25 g/mol
Exact Mass371.08
IUPAC Name1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O3/c1-10(22)21-8-2-3-14(21)16(24)20-7-6-19-15(23)11-4-5-12(17)13(18)9-11/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,23)(H,20,24)
InChIKeyOEEMUSFWENSEOE-UHFFFAOYSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.85
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

(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
1-(3,4-dichlorobenzoyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide
CID 119448407
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 53361924
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
(2S)-1-(3,5-dimethoxybenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071507
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112833762
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide (CID 78868255) is 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OEEMUSFWENSEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3/c1-10(22)21-8-2-3-14(21)16(24)20-7-6-19-15(23)11-4-5-12(17)13(18)9-11/h4-5,9,14H,2-3,6-8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 372.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78868255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).