5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

C21H19BrN2O3 — CID 17353072

IUPAC5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H19BrN2O3/c1-2-27-19-11-10-16(22)13-18(19)21(26)24-23-20(25)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWDMRVNPDMQBDHL-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.00
Rot. Bonds5

About 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (PubChem CID 17353072) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
PubChem CID17353072
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H19BrN2O3/c1-2-27-19-11-10-16(22)13-18(19)21(26)24-23-20(25)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWDMRVNPDMQBDHL-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.00
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

5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-2-ethoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 17353100
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The IUPAC name of 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (CID 17353072) is 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is CCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The InChIKey is WDMRVNPDMQBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-2-27-19-11-10-16(22)13-18(19)21(26)24-23-20(25)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-11,13H,2,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide has a molecular weight of 427.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 17353072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).