2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide

C15H19BrN2O2 — CID 4251579

IUPAC2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1CC=C(NNC(=O)COc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O2/c1-11-6-8-12(9-7-11)17-18-15(19)10-20-14-5-3-2-4-13(14)16/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyRWNXGLVYEACOGH-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide

2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide (PubChem CID 4251579) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide
PubChem CID4251579
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide
SMILESCC1CC=C(NNC(=O)COc2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O2/c1-11-6-8-12(9-7-11)17-18-15(19)10-20-14-5-3-2-4-13(14)16/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyRWNXGLVYEACOGH-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.15
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

N'-[(4S)-4-methylcyclohexen-1-yl]-2-(2-phenylphenoxy)acetohydrazide
CID 2378280
N'-(4-methylcyclohexen-1-yl)benzohydrazide
CID 4621407
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2391704
N'-(cyclopenten-1-yl)-2-(2-phenylphenoxy)acetohydrazide
CID 2367765
ethyl (6R)-2-[[2-(2-bromophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1183115
2-(2-methoxyphenoxy)-N'-[(5R)-3,3,5-trimethylcyclohexen-1-yl]acetohydrazide
CID 2388249
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
CID 97249806
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide?
The IUPAC name of 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide (CID 4251579) is 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide is CC1CC=C(NNC(=O)COc2ccccc2Br)CC1.
What is the InChIKey of 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide?
The InChIKey is RWNXGLVYEACOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-11-6-8-12(9-7-11)17-18-15(19)10-20-14-5-3-2-4-13(14)16/h2-5,8,11,17H,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide?
2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide has a molecular weight of 339.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide is sourced from PubChem (CID 4251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).