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

C16H15BrN2O3 — CID 7719967

IUPAC3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-11-5-2-3-8-14(11)22-10-15(20)18-19-16(21)12-6-4-7-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLQYQUAFZBUERIR-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.60
Rot. Bonds4

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

3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 7719967) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
PubChem CID7719967
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-11-5-2-3-8-14(11)22-10-15(20)18-19-16(21)12-6-4-7-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLQYQUAFZBUERIR-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
3-bromo-4-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17339504
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (CID 7719967) is 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is LQYQUAFZBUERIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-11-5-2-3-8-14(11)22-10-15(20)18-19-16(21)12-6-4-7-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 363.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7719967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).