1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C23H22Cl2N4O3 — CID 112794807

IUPAC1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C23H22Cl2N4O3/c1-14(2)28(13-20-26-27-22(32-20)16-7-3-4-8-17(16)24)23(31)15-11-21(30)29(12-15)19-10-6-5-9-18(19)25/h3-10,14-15H,11-13H2,1-2H3
InChIKeyDEWLZIJFXMPITH-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.83
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 112794807) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID112794807
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C23H22Cl2N4O3/c1-14(2)28(13-20-26-27-22(32-20)16-7-3-4-8-17(16)24)23(31)15-11-21(30)29(12-15)19-10-6-5-9-18(19)25/h3-10,14-15H,11-13H2,1-2H3
InChIKeyDEWLZIJFXMPITH-UHFFFAOYSA-N
XLogP4.83
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55542675
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55498908
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55361290
(3R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylsulfonyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41154787
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(5-chlorothiophen-2-yl)-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55875600
(3S)-1-[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544669
(3R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-1-oxo-N-propan-2-yl-4H-isochromene-3-carboxamide
CID 25436163
1-(2-chlorophenyl)-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42905775
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-chloro-3-pyridinyl)-N-propan-2-ylacetamide
CID 86933441
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(1,3-dithiolan-2-yl)-N-propan-2-ylbenzamide
CID 112794811
4-benzylsulfanyl-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 112844814
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 112794807) is 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DEWLZIJFXMPITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-14(2)28(13-20-26-27-22(32-20)16-7-3-4-8-17(16)24)23(31)15-11-21(30)29(12-15)19-10-6-5-9-18(19)25/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 473.36 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112794807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).