5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide

C21H18Br2N2O4 — CID 17353038

IUPAC5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C21H18Br2N2O4/c1-2-28-17-10-8-14(22)11-16(17)21(27)25-24-19(26)12-29-18-9-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNDVNRMHPZGILDZ-UHFFFAOYSA-N
MW522.19 g/mol
LogP4.60
Rot. Bonds6

About 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide

5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide (PubChem CID 17353038) has the molecular formula C21H18Br2N2O4 and a molecular weight of 522.19 g/mol. Its IUPAC name is 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
PubChem CID17353038
Molecular FormulaC21H18Br2N2O4
Molecular Weight522.19 g/mol
Exact Mass519.96
IUPAC Name5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C21H18Br2N2O4/c1-2-28-17-10-8-14(22)11-16(17)21(27)25-24-19(26)12-29-18-9-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNDVNRMHPZGILDZ-UHFFFAOYSA-N
XLogP4.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.19
LogP ≤ 54.60
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

5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide (CID 17353038) is 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide is CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide?
The InChIKey is NDVNRMHPZGILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O4/c1-2-28-17-10-8-14(22)11-16(17)21(27)25-24-19(26)12-29-18-9-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide?
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide has a molecular weight of 522.19 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide is sourced from PubChem (CID 17353038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).