2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide

C19H21BrN2O4 — CID 17496367

IUPAC2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
SMILESCOc1cc(CC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)ccc1C
InChIInChI=1S/C19H21BrN2O4/c1-12-7-8-14(9-17(12)25-3)10-18(23)21-22-19(24)13(2)26-16-6-4-5-15(20)11-16/h4-9,11,13H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZQAMIBDYFLCRCD-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.92
Rot. Bonds6

About 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide

2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide (PubChem CID 17496367) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
PubChem CID17496367
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
SMILESCOc1cc(CC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)ccc1C
InChIInChI=1S/C19H21BrN2O4/c1-12-7-8-14(9-17(12)25-3)10-18(23)21-22-19(24)13(2)26-16-6-4-5-15(20)11-16/h4-9,11,13H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZQAMIBDYFLCRCD-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.92
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

(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4961122
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
2-(3-bromophenoxy)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]propanehydrazide
CID 46656899
methyl 2-[4-[[2-(3-bromophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetate
CID 55788990

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide (CID 17496367) is 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide is COc1cc(CC(=O)NNC(=O)C(C)Oc2cccc(Br)c2)ccc1C.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide?
The InChIKey is ZQAMIBDYFLCRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-12-7-8-14(9-17(12)25-3)10-18(23)21-22-19(24)13(2)26-16-6-4-5-15(20)11-16/h4-9,11,13H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide has a molecular weight of 421.29 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 17496367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).