N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide

C24H20BrN3O3 — CID 1120045

IUPACN'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BrN3O3/c25-18-11-13-19(14-12-18)28-21(29)15-20(24(28)31)26-27-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,22,26H,15H2,(H,27,30)/t20-/m1/s1
InChIKeyBWWQBRZNKBUNIP-HXUWFJFHSA-N
MW478.35 g/mol
LogP3.53
Rot. Bonds6

About N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide

N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide (PubChem CID 1120045) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
PubChem CID1120045
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC NameN'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BrN3O3/c25-18-11-13-19(14-12-18)28-21(29)15-20(24(28)31)26-27-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,22,26H,15H2,(H,27,30)/t20-/m1/s1
InChIKeyBWWQBRZNKBUNIP-HXUWFJFHSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-bromophenoxy)-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanehydrazide
CID 2463000
(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid
CID 46206658
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 1258880
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
CID 2856358
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
CID 671547
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
2-cyclopropyl-2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetic acid
CID 62697710
(3S)-1-(4-bromophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-dione
CID 7298446
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
3-[(2-hydroxy-2-phenylethyl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4558033

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide (CID 1120045) is N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide is O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The InChIKey is BWWQBRZNKBUNIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c25-18-11-13-19(14-12-18)28-21(29)15-20(24(28)31)26-27-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20,22,26H,15H2,(H,27,30)/t20-/m1/s1.
What are the key properties of N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide has a molecular weight of 478.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 1120045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).