N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide

C22H27BrN2O4 — CID 4930780

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C22H27BrN2O4/c1-3-4-5-6-13-28-18-9-7-17(8-10-18)22(27)25-24-21(26)15-29-19-11-12-20(23)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUYKLMJBEGKYLCM-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.56
Rot. Bonds10

About N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide (PubChem CID 4930780) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
PubChem CID4930780
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C22H27BrN2O4/c1-3-4-5-6-13-28-18-9-7-17(8-10-18)22(27)25-24-21(26)15-29-19-11-12-20(23)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUYKLMJBEGKYLCM-UHFFFAOYSA-N
XLogP4.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.56
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-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide
CID 4936011
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide (CID 4930780) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The InChIKey is UYKLMJBEGKYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-3-4-5-6-13-28-18-9-7-17(8-10-18)22(27)25-24-21(26)15-29-19-11-12-20(23)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide has a molecular weight of 463.37 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4930780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).