1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide

C19H18BrN3O3 — CID 2964324

IUPAC1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O3/c20-16-8-6-14(7-9-16)18(25)21-22-19(26)15-10-17(24)23(12-15)11-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,21,25)(H,22,26)
InChIKeyPWAFCSJFUPMBPD-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.26
Rot. Bonds4

About 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide

1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 2964324) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID2964324
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O3/c20-16-8-6-14(7-9-16)18(25)21-22-19(26)15-10-17(24)23(12-15)11-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,21,25)(H,22,26)
InChIKeyPWAFCSJFUPMBPD-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.26
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-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17476806
(3S)-N'-(4-fluorobenzoyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbohydrazide
CID 2460845
3-benzyl-N'-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 42907780
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
(3S)-1-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95132360
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
1-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700078
1-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700427
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide (CID 2964324) is 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is PWAFCSJFUPMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-16-8-6-14(7-9-16)18(25)21-22-19(26)15-10-17(24)23(12-15)11-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,21,25)(H,22,26).
What are the key properties of 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 416.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 2964324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).