5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide

C22H21BrN2O4 — CID 17353100

IUPAC5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H21BrN2O4/c1-3-28-20-11-9-17(23)13-19(20)22(27)25-24-21(26)14(2)29-18-10-8-15-6-4-5-7-16(15)12-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCAXAFWQFPUESRK-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.23
Rot. Bonds6

About 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide

5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (PubChem CID 17353100) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
PubChem CID17353100
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C22H21BrN2O4/c1-3-28-20-11-9-17(23)13-19(20)22(27)25-24-21(26)14(2)29-18-10-8-15-6-4-5-7-16(15)12-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyCAXAFWQFPUESRK-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.23
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

3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-ethoxybenzamide
CID 17169576
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide (CID 17353100) is 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is CCOc1ccc(Br)cc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
The InChIKey is CAXAFWQFPUESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-3-28-20-11-9-17(23)13-19(20)22(27)25-24-21(26)14(2)29-18-10-8-15-6-4-5-7-16(15)12-18/h4-14H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide?
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide has a molecular weight of 457.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide is sourced from PubChem (CID 17353100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).