3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide

C21H18Br2N2O4 — CID 17073886

IUPAC3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br
InChIInChI=1S/C21H18Br2N2O4/c1-2-28-17-9-8-14(11-16(17)22)21(27)25-24-19(26)12-29-18-10-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyMNPUEGKUWPEGDG-UHFFFAOYSA-N
MW522.19 g/mol
LogP4.60
Rot. Bonds6

About 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide

3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide (PubChem CID 17073886) has the molecular formula C21H18Br2N2O4 and a molecular weight of 522.19 g/mol. Its IUPAC name is 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
PubChem CID17073886
Molecular FormulaC21H18Br2N2O4
Molecular Weight522.19 g/mol
Exact Mass519.96
IUPAC Name3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br
InChIInChI=1S/C21H18Br2N2O4/c1-2-28-17-9-8-14(11-16(17)22)21(27)25-24-19(26)12-29-18-10-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyMNPUEGKUWPEGDG-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

3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17357061
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073163
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide (CID 17073886) is 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide?
The InChIKey is MNPUEGKUWPEGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O4/c1-2-28-17-9-8-14(11-16(17)22)21(27)25-24-19(26)12-29-18-10-7-13-5-3-4-6-15(13)20(18)23/h3-11H,2,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide?
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-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 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 17073886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).