4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide

C18H16BrN3O3 — CID 78803344

IUPAC4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNc1ccccc1
InChIInChI=1S/C18H16BrN3O3/c19-12-8-9-14-15(11-12)18(25)22(17(14)24)10-4-7-16(23)21-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,21,23)
InChIKeyOKDSNTBMQCSUSQ-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.97
Rot. Bonds6

About 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide (PubChem CID 78803344) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide.

Molecular Properties

Compound Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
PubChem CID78803344
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNc1ccccc1
InChIInChI=1S/C18H16BrN3O3/c19-12-8-9-14-15(11-12)18(25)22(17(14)24)10-4-7-16(23)21-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,21,23)
InChIKeyOKDSNTBMQCSUSQ-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.97
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

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,6-dimethylphenyl)butanamide
CID 30433870
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 46512738
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-[2-(4-methoxyanilino)acetyl]butanehydrazide
CID 55497012
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(methylamino)propyl]butanamide
CID 119434052
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933151
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(ethylamino)ethyl]butanamide
CID 119509332
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 39467985
3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]-4-hydroxybenzoic acid
CID 108730221
4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 30439511

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide?
The IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide (CID 78803344) is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide.
What is the SMILES notation for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide?
The canonical SMILES for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide is O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NNc1ccccc1.
What is the InChIKey of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide?
The InChIKey is OKDSNTBMQCSUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-12-8-9-14-15(11-12)18(25)22(17(14)24)10-4-7-16(23)21-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,21,23).
What are the key properties of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide?
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide has a molecular weight of 402.25 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide is sourced from PubChem (CID 78803344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).