N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide

C22H27BrN2O4 — CID 4941268

IUPACN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C22H27BrN2O4/c1-4-5-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(15(2)3)13-18(20)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLJPDLEHNOMZLIG-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.59
Rot. Bonds9

About N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide

N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide (PubChem CID 4941268) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
PubChem CID4941268
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC NameN'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
SMILESCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C22H27BrN2O4/c1-4-5-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(15(2)3)13-18(20)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyLJPDLEHNOMZLIG-UHFFFAOYSA-N
XLogP4.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.59
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-(2-bromo-4-butan-2-ylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 17189754
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
CID 19201746
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-hexoxybenzohydrazide
CID 4942366
N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046007
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide (CID 4941268) is N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide is CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br.
What is the InChIKey of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide?
The InChIKey is LJPDLEHNOMZLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-4-5-12-28-19-9-7-6-8-17(19)22(27)25-24-21(26)14-29-20-11-10-16(15(2)3)13-18(20)23/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide?
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide has a molecular weight of 463.37 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide is sourced from PubChem (CID 4941268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).