N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C17H21Cl2N3O3 — CID 108537890

IUPACN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)22-9-12(8-15(22)23)17(25)21-6-5-20-16(24)11-3-4-13(18)14(19)7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZXYNEAJPUKLPDS-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.10
Rot. Bonds6

About N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108537890) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108537890
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-10(2)22-9-12(8-15(22)23)17(25)21-6-5-20-16(24)11-3-4-13(18)14(19)7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZXYNEAJPUKLPDS-UHFFFAOYSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.10
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

(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
(3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95130167
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540904
5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119734
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108540657
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540900
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
1-tert-butyl-5-oxo-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 108572335
1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 46779173
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268
N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108537890) is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZXYNEAJPUKLPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-10(2)22-9-12(8-15(22)23)17(25)21-6-5-20-16(24)11-3-4-13(18)14(19)7-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108537890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).