1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

C17H15BrClN3O2 — CID 43059070

IUPAC1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H15BrClN3O2/c18-12-3-1-6-15(8-12)22-10-11(7-16(22)23)17(24)21-20-14-5-2-4-13(19)9-14/h1-6,8-9,11,20H,7,10H2,(H,21,24)
InChIKeyDQTICXLNEPECJU-UHFFFAOYSA-N
MW408.68 g/mol
LogP3.60
Rot. Bonds4

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

1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 43059070) has the molecular formula C17H15BrClN3O2 and a molecular weight of 408.68 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID43059070
Molecular FormulaC17H15BrClN3O2
Molecular Weight408.68 g/mol
Exact Mass407.00
IUPAC Name1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H15BrClN3O2/c18-12-3-1-6-15(8-12)22-10-11(7-16(22)23)17(24)21-20-14-5-2-4-13(19)9-14/h1-6,8-9,11,20H,7,10H2,(H,21,24)
InChIKeyDQTICXLNEPECJU-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 53.60
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

N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
(3S)-1-(3-bromophenyl)-N'-(4-fluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 52501833
N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
CID 43057495
4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 55575271
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
(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
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260387
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 43059070) is 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNc1cccc(Cl)c1)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is DQTICXLNEPECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O2/c18-12-3-1-6-15(8-12)22-10-11(7-16(22)23)17(24)21-20-14-5-2-4-13(19)9-14/h1-6,8-9,11,20H,7,10H2,(H,21,24).
What are the key properties of 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 408.68 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 43059070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).