N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide

C22H21BrN2O5 — CID 17355590

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C22H21BrN2O5/c1-28-12-13-29-18-9-5-4-8-17(18)22(27)25-24-20(26)14-30-19-11-10-15-6-2-3-7-16(15)21(19)23/h2-11H,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyBPPNRVODMYIXLP-UHFFFAOYSA-N
MW473.32 g/mol
LogP3.47
Rot. Bonds8

About N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide (PubChem CID 17355590) has the molecular formula C22H21BrN2O5 and a molecular weight of 473.32 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
PubChem CID17355590
Molecular FormulaC22H21BrN2O5
Molecular Weight473.32 g/mol
Exact Mass472.06
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C22H21BrN2O5/c1-28-12-13-29-18-9-5-4-8-17(18)22(27)25-24-20(26)14-30-19-11-10-15-6-2-3-7-16(15)21(19)23/h2-11H,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyBPPNRVODMYIXLP-UHFFFAOYSA-N
XLogP3.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
CID 19628301
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17357061
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide (CID 17355590) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide is COCCOc1ccccc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide?
The InChIKey is BPPNRVODMYIXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O5/c1-28-12-13-29-18-9-5-4-8-17(18)22(27)25-24-20(26)14-30-19-11-10-15-6-2-3-7-16(15)21(19)23/h2-11H,12-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide has a molecular weight of 473.32 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17355590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).