4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

C16H14BrClN4O3 — CID 55575271

IUPAC4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1cc(Br)c[nH]1
InChIInChI=1S/C16H14BrClN4O3/c17-10-5-13(19-7-10)16(25)21-20-15(24)9-4-14(23)22(8-9)12-3-1-2-11(18)6-12/h1-3,5-7,9,19H,4,8H2,(H,20,24)(H,21,25)
InChIKeyDRNCBZSMCZQEND-UHFFFAOYSA-N
MW425.67 g/mol
LogP2.24
Rot. Bonds3

About 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 55575271) has the molecular formula C16H14BrClN4O3 and a molecular weight of 425.67 g/mol. Its IUPAC name is 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID55575271
Molecular FormulaC16H14BrClN4O3
Molecular Weight425.67 g/mol
Exact Mass423.99
IUPAC Name4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1cc(Br)c[nH]1
InChIInChI=1S/C16H14BrClN4O3/c17-10-5-13(19-7-10)16(25)21-20-15(24)9-4-14(23)22(8-9)12-3-1-2-11(18)6-12/h1-3,5-7,9,19H,4,8H2,(H,20,24)(H,21,25)
InChIKeyDRNCBZSMCZQEND-UHFFFAOYSA-N
XLogP2.24
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.67
LogP ≤ 52.24
H-Bond Donors ≤ 53
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',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
(3R)-N'-(1,3-benzodioxole-5-carbonyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51935339
N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46581353
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260387
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
(3S)-1-(3-bromophenyl)-N'-(4-fluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 52501833
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (CID 55575271) is 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is DRNCBZSMCZQEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O3/c17-10-5-13(19-7-10)16(25)21-20-15(24)9-4-14(23)22(8-9)12-3-1-2-11(18)6-12/h1-3,5-7,9,19H,4,8H2,(H,20,24)(H,21,25).
What are the key properties of 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 425.67 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 55575271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).