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

C19H19BrN2O4 — CID 4925933

IUPACN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H19BrN2O4/c1-3-10-25-15-6-4-14(5-7-15)19(24)22-21-18(23)12-26-16-8-9-17(20)13(2)11-16/h3-9,11H,1,10,12H2,2H3,(H,21,23)(H,22,24)
InChIKeyGQNPPKDMEXFTEQ-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.16
Rot. Bonds7

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

N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 4925933) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
PubChem CID4925933
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC NameN'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C19H19BrN2O4/c1-3-10-25-15-6-4-14(5-7-15)19(24)22-21-18(23)12-26-16-8-9-17(20)13(2)11-16/h3-9,11H,1,10,12H2,2H3,(H,21,23)(H,22,24)
InChIKeyGQNPPKDMEXFTEQ-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929141
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide (CID 4925933) is N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is GQNPPKDMEXFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-3-10-25-15-6-4-14(5-7-15)19(24)22-21-18(23)12-26-16-8-9-17(20)13(2)11-16/h3-9,11H,1,10,12H2,2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 419.28 g/mol, XLogP of 3.16, 7 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]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).