2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide

C16H15BrN2O3 — CID 86038173

IUPAC2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide
SMILESCc1ccc(OCC(=O)NN)c(C(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-10-6-7-14(22-9-15(20)19-18)12(8-10)16(21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3,(H,19,20)
InChIKeyKNTBEBBVSPALSV-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide

2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide (PubChem CID 86038173) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide
PubChem CID86038173
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide
SMILESCc1ccc(OCC(=O)NN)c(C(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O3/c1-10-6-7-14(22-9-15(20)19-18)12(8-10)16(21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3,(H,19,20)
InChIKeyKNTBEBBVSPALSV-UHFFFAOYSA-N
XLogP2.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
CID 11653576
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
CID 63322380
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzamide
CID 3291331
1-(2-bromophenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 60657012
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide?
The IUPAC name of 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide (CID 86038173) is 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide is Cc1ccc(OCC(=O)NN)c(C(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide?
The InChIKey is KNTBEBBVSPALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10-6-7-14(22-9-15(20)19-18)12(8-10)16(21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide?
2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide has a molecular weight of 363.21 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide is sourced from PubChem (CID 86038173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).