5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide

C25H25Br3N2O4 — CID 17343536

IUPAC5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C25H25Br3N2O4/c1-2-3-4-5-12-33-21-11-8-18(27)14-20(21)25(32)30-29-23(31)15-34-22-10-6-16-13-17(26)7-9-19(16)24(22)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyLUMBOBWEJYILNL-UHFFFAOYSA-N
MW657.20 g/mol
LogP6.93
Rot. Bonds10

About 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide

5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide (PubChem CID 17343536) has the molecular formula C25H25Br3N2O4 and a molecular weight of 657.20 g/mol. Its IUPAC name is 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
PubChem CID17343536
Molecular FormulaC25H25Br3N2O4
Molecular Weight657.20 g/mol
Exact Mass653.94
IUPAC Name5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C25H25Br3N2O4/c1-2-3-4-5-12-33-21-11-8-18(27)14-20(21)25(32)30-29-23(31)15-34-22-10-6-16-13-17(26)7-9-19(16)24(22)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyLUMBOBWEJYILNL-UHFFFAOYSA-N
XLogP6.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.20
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
CID 4935386
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
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide
CID 4925812
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide
CID 17343784
5-bromo-N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide
CID 17343841
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide (CID 17343536) is 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide is CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide?
The InChIKey is LUMBOBWEJYILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Br3N2O4/c1-2-3-4-5-12-33-21-11-8-18(27)14-20(21)25(32)30-29-23(31)15-34-22-10-6-16-13-17(26)7-9-19(16)24(22)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide?
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide has a molecular weight of 657.20 g/mol, XLogP of 6.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide is sourced from PubChem (CID 17343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).