N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

C20H21BrN2O3 — CID 46556773

IUPACN'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C20H21BrN2O3/c1-13(26-16-9-5-8-15(21)12-16)19(24)22-23-20(25)18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12-13,18H,4,7,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJSKNWGCGPIFPDQ-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.48
Rot. Bonds4

About N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (PubChem CID 46556773) has the molecular formula C20H21BrN2O3 and a molecular weight of 417.30 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
PubChem CID46556773
Molecular FormulaC20H21BrN2O3
Molecular Weight417.30 g/mol
Exact Mass416.07
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C20H21BrN2O3/c1-13(26-16-9-5-8-15(21)12-16)19(24)22-23-20(25)18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12-13,18H,4,7,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJSKNWGCGPIFPDQ-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.48
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

N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
(3S)-N'-[(2R)-2-(3-bromophenoxy)propanoyl]-1,1-dioxothiolane-3-carbohydrazide
CID 9090884
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8770730
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946784
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide (CID 46556773) is N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
The InChIKey is JSKNWGCGPIFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3/c1-13(26-16-9-5-8-15(21)12-16)19(24)22-23-20(25)18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12-13,18H,4,7,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide has a molecular weight of 417.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide is sourced from PubChem (CID 46556773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).