(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide

C17H18BrN3O3 — CID 9154957

IUPAC(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cccnc1
InChIInChI=1S/C17H18BrN3O3/c1-12(24-15-6-2-5-14(18)10-15)17(23)21-20-16(22)8-7-13-4-3-9-19-11-13/h2-6,9-12H,7-8H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWXXHZVZPXHILKF-GFCCVEGCSA-N
MW392.25 g/mol
LogP2.39
Rot. Bonds6

About (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide (PubChem CID 9154957) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
PubChem CID9154957
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cccnc1
InChIInChI=1S/C17H18BrN3O3/c1-12(24-15-6-2-5-14(18)10-15)17(23)21-20-16(22)8-7-13-4-3-9-19-11-13/h2-6,9-12H,7-8H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWXXHZVZPXHILKF-GFCCVEGCSA-N
XLogP2.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
CID 55678624
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
2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide
CID 46628155
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
(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-pyridin-3-ylpropanoyl)propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide (CID 9154957) is (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide is C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cccnc1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide?
The InChIKey is WXXHZVZPXHILKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-12(24-15-6-2-5-14(18)10-15)17(23)21-20-16(22)8-7-13-4-3-9-19-11-13/h2-6,9-12H,7-8H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide has a molecular weight of 392.25 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide is sourced from PubChem (CID 9154957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).