(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide

C16H18BrN3O5 — CID 9154984

IUPAC(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H18BrN3O5/c1-10(25-12-4-2-3-11(17)9-12)16(24)19-18-13(21)7-8-20-14(22)5-6-15(20)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,19,24)/t10-/m1/s1
InChIKeyUUBZVLNJJMYMIH-SNVBAGLBSA-N
MW412.24 g/mol
LogP0.90
Rot. Bonds6

About (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide (PubChem CID 9154984) has the molecular formula C16H18BrN3O5 and a molecular weight of 412.24 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
PubChem CID9154984
Molecular FormulaC16H18BrN3O5
Molecular Weight412.24 g/mol
Exact Mass411.04
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H18BrN3O5/c1-10(25-12-4-2-3-11(17)9-12)16(24)19-18-13(21)7-8-20-14(22)5-6-15(20)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,19,24)/t10-/m1/s1
InChIKeyUUBZVLNJJMYMIH-SNVBAGLBSA-N
XLogP0.90
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
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CID 9154824
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
2-(3-bromophenoxy)-N'-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]propanehydrazide
CID 46690765
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide (CID 9154984) is (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide is C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide?
The InChIKey is UUBZVLNJJMYMIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18BrN3O5/c1-10(25-12-4-2-3-11(17)9-12)16(24)19-18-13(21)7-8-20-14(22)5-6-15(20)23/h2-4,9-10H,5-8H2,1H3,(H,18,21)(H,19,24)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide has a molecular weight of 412.24 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide is sourced from PubChem (CID 9154984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).