N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

C17H15Cl2N3O2 — CID 43059071

IUPACN',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H15Cl2N3O2/c18-12-3-1-5-14(8-12)20-21-17(24)11-7-16(23)22(10-11)15-6-2-4-13(19)9-15/h1-6,8-9,11,20H,7,10H2,(H,21,24)
InChIKeyMVTZVXRXQRWDRO-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.49
Rot. Bonds4

About N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 43059071) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID43059071
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H15Cl2N3O2/c18-12-3-1-5-14(8-12)20-21-17(24)11-7-16(23)22(10-11)15-6-2-4-13(19)9-15/h1-6,8-9,11,20H,7,10H2,(H,21,24)
InChIKeyMVTZVXRXQRWDRO-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059070
N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
CID 43057495
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054

Frequently Asked Questions

What is the IUPAC name of N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 43059071) is N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is MVTZVXRXQRWDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-12-3-1-5-14(8-12)20-21-17(24)11-7-16(23)22(10-11)15-6-2-4-13(19)9-15/h1-6,8-9,11,20H,7,10H2,(H,21,24).
What are the key properties of N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 364.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 43059071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).