N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide

C21H24Br2N2O4 — CID 4946860

IUPACN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C21H24Br2N2O4/c1-3-4-7-10-28-18-9-6-5-8-16(18)21(27)25-24-19(26)13-29-20-14(2)11-15(22)12-17(20)23/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZQFVCGNHYQSEDA-UHFFFAOYSA-N
MW528.24 g/mol
LogP4.93
Rot. Bonds9

About N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide (PubChem CID 4946860) has the molecular formula C21H24Br2N2O4 and a molecular weight of 528.24 g/mol. Its IUPAC name is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
PubChem CID4946860
Molecular FormulaC21H24Br2N2O4
Molecular Weight528.24 g/mol
Exact Mass526.01
IUPAC NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
SMILESCCCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C21H24Br2N2O4/c1-3-4-7-10-28-18-9-6-5-8-16(18)21(27)25-24-19(26)13-29-20-14(2)11-15(22)12-17(20)23/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZQFVCGNHYQSEDA-UHFFFAOYSA-N
XLogP4.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.24
LogP ≤ 54.93
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'}

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Related Compounds

2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
CID 54792259
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
CID 17350895
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
2-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3381490

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide?
The IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide (CID 4946860) is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide is CCCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide?
The InChIKey is ZQFVCGNHYQSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Br2N2O4/c1-3-4-7-10-28-18-9-6-5-8-16(18)21(27)25-24-19(26)13-29-20-14(2)11-15(22)12-17(20)23/h5-6,8-9,11-12H,3-4,7,10,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide?
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide has a molecular weight of 528.24 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide is sourced from PubChem (CID 4946860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).