N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide

C24H24Br2N2O4 — CID 4935386

IUPACN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C24H24Br2N2O4/c1-2-3-4-13-31-19-9-5-16(6-10-19)24(30)28-27-22(29)15-32-21-12-7-17-14-18(25)8-11-20(17)23(21)26/h5-12,14H,2-4,13,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyIRTQVBSTPXFOHN-UHFFFAOYSA-N
MW564.27 g/mol
LogP5.77
Rot. Bonds9

About N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide

N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide (PubChem CID 4935386) has the molecular formula C24H24Br2N2O4 and a molecular weight of 564.27 g/mol. Its IUPAC name is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
PubChem CID4935386
Molecular FormulaC24H24Br2N2O4
Molecular Weight564.27 g/mol
Exact Mass562.01
IUPAC NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C24H24Br2N2O4/c1-2-3-4-13-31-19-9-5-16(6-10-19)24(30)28-27-22(29)15-32-21-12-7-17-14-18(25)8-11-20(17)23(21)26/h5-12,14H,2-4,13,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyIRTQVBSTPXFOHN-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.27
LogP ≤ 55.77
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'}

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Related Compounds

3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
4-tert-butyl-N-[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]benzamide
CID 3380438
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide
CID 4925812
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3,5-dinitrobenzohydrazide
CID 3355476
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 3307662
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide
CID 4935986
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide?
The IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide (CID 4935386) is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide?
The canonical SMILES for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1.
What is the InChIKey of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide?
The InChIKey is IRTQVBSTPXFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N2O4/c1-2-3-4-13-31-19-9-5-16(6-10-19)24(30)28-27-22(29)15-32-21-12-7-17-14-18(25)8-11-20(17)23(21)26/h5-12,14H,2-4,13,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide?
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide has a molecular weight of 564.27 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide is sourced from PubChem (CID 4935386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).