2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide

C19H20Br2N2O4 — CID 4941221

IUPAC2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C19H20Br2N2O4/c1-2-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12-27-17-9-8-13(20)11-15(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPQMFSHOIQHFWOV-UHFFFAOYSA-N
MW500.19 g/mol
LogP4.23
Rot. Bonds8

About 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide

2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide (PubChem CID 4941221) has the molecular formula C19H20Br2N2O4 and a molecular weight of 500.19 g/mol. Its IUPAC name is 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
PubChem CID4941221
Molecular FormulaC19H20Br2N2O4
Molecular Weight500.19 g/mol
Exact Mass497.98
IUPAC Name2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C19H20Br2N2O4/c1-2-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12-27-17-9-8-13(20)11-15(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPQMFSHOIQHFWOV-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.19
LogP ≤ 54.23
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

N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-butoxybenzamide
CID 4941818
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
N'-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide (CID 4941221) is 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide is CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide?
The InChIKey is PQMFSHOIQHFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O4/c1-2-3-10-26-16-7-5-4-6-14(16)19(25)23-22-18(24)12-27-17-9-8-13(20)11-15(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide?
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide has a molecular weight of 500.19 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4941221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).