1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide

C19H24ClN3O4 — CID 56829298

IUPAC1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C19H24ClN3O4/c1-27-16-9-8-13(20)11-14(16)19(26)23-10-4-7-15(23)18(25)22-21-17(24)12-5-2-3-6-12/h8-9,11-12,15H,2-7,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyJETDSEDWUPTQRK-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.29
Rot. Bonds4

About 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide

1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide (PubChem CID 56829298) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
PubChem CID56829298
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NNC(=O)C1CCCC1
InChIInChI=1S/C19H24ClN3O4/c1-27-16-9-8-13(20)11-14(16)19(26)23-10-4-7-15(23)18(25)22-21-17(24)12-5-2-3-6-12/h8-9,11-12,15H,2-7,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyJETDSEDWUPTQRK-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1270397
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500
N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 55625292
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide (CID 56829298) is 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NNC(=O)C1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide?
The InChIKey is JETDSEDWUPTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-27-16-9-8-13(20)11-14(16)19(26)23-10-4-7-15(23)18(25)22-21-17(24)12-5-2-3-6-12/h8-9,11-12,15H,2-7,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide?
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide has a molecular weight of 393.87 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 56829298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).