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

C17H17BrN2O4 — CID 3117674

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-11-8-14(6-7-15(11)18)24-10-16(21)19-20-17(22)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJPMMDGMOCMTOJO-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.61
Rot. Bonds5

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

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide (PubChem CID 3117674) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
PubChem CID3117674
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-11-8-14(6-7-15(11)18)24-10-16(21)19-20-17(22)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJPMMDGMOCMTOJO-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150
N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide (CID 3117674) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide?
The InChIKey is JPMMDGMOCMTOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-11-8-14(6-7-15(11)18)24-10-16(21)19-20-17(22)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.61, 5 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]-3-methoxybenzohydrazide is sourced from PubChem (CID 3117674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).