N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide

C20H22ClN3O5 — CID 43057495

IUPACN'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCOc1cc(N2CC(C(=O)NNc3cccc(Cl)c3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C20H22ClN3O5/c1-27-16-9-15(10-17(28-2)19(16)29-3)24-11-12(7-18(24)25)20(26)23-22-14-6-4-5-13(21)8-14/h4-6,8-10,12,22H,7,11H2,1-3H3,(H,23,26)
InChIKeyMQTREQJJVOZFPG-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.86
Rot. Bonds7

About N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide

N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide (PubChem CID 43057495) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
PubChem CID43057495
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC NameN'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCOc1cc(N2CC(C(=O)NNc3cccc(Cl)c3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C20H22ClN3O5/c1-27-16-9-15(10-17(28-2)19(16)29-3)24-11-12(7-18(24)25)20(26)23-22-14-6-4-5-13(21)8-14/h4-6,8-10,12,22H,7,11H2,1-3H3,(H,23,26)
InChIKeyMQTREQJJVOZFPG-UHFFFAOYSA-N
XLogP2.86
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059070
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide (CID 43057495) is N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide is COc1cc(N2CC(C(=O)NNc3cccc(Cl)c3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
The InChIKey is MQTREQJJVOZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-27-16-9-15(10-17(28-2)19(16)29-3)24-11-12(7-18(24)25)20(26)23-22-14-6-4-5-13(21)8-14/h4-6,8-10,12,22H,7,11H2,1-3H3,(H,23,26).
What are the key properties of N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide?
N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide has a molecular weight of 419.87 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 43057495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).