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

C27H23BrN2O5 — CID 4954463

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C27H23BrN2O5/c28-26-21-11-5-4-8-19(21)14-15-24(26)35-18-25(31)29-30-27(32)22-12-6-7-13-23(22)34-17-16-33-20-9-2-1-3-10-20/h1-15H,16-18H2,(H,29,31)(H,30,32)
InChIKeyJNFGFRYRMJODHA-UHFFFAOYSA-N
MW535.39 g/mol
LogP4.90
Rot. Bonds9

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

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4954463) has the molecular formula C27H23BrN2O5 and a molecular weight of 535.39 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
PubChem CID4954463
Molecular FormulaC27H23BrN2O5
Molecular Weight535.39 g/mol
Exact Mass534.08
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C27H23BrN2O5/c28-26-21-11-5-4-8-19(21)14-15-24(26)35-18-25(31)29-30-27(32)22-12-6-7-13-23(22)34-17-16-33-20-9-2-1-3-10-20/h1-15H,16-18H2,(H,29,31)(H,30,32)
InChIKeyJNFGFRYRMJODHA-UHFFFAOYSA-N
XLogP4.90
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.39
LogP ≤ 54.90
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-methoxyethoxy)benzohydrazide
CID 17355590
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
CID 19628301
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
2-(3-methylbutoxy)-N'-(2-phenoxyacetyl)benzohydrazide
CID 4943974
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide (CID 4954463) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide is O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is JNFGFRYRMJODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O5/c28-26-21-11-5-4-8-19(21)14-15-24(26)35-18-25(31)29-30-27(32)22-12-6-7-13-23(22)34-17-16-33-20-9-2-1-3-10-20/h1-15H,16-18H2,(H,29,31)(H,30,32).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 535.39 g/mol, XLogP of 4.90, 9 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-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4954463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).