5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide

C18H17BrN2O4 — CID 17094423

IUPAC5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrN2O4/c1-3-10-25-16-7-5-4-6-13(16)17(22)20-21-18(23)14-11-12(19)8-9-15(14)24-2/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyQVAXKIVTXNUILB-UHFFFAOYSA-N
MW405.25 g/mol
LogP3.10
Rot. Bonds6

About 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide

5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 17094423) has the molecular formula C18H17BrN2O4 and a molecular weight of 405.25 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID17094423
Molecular FormulaC18H17BrN2O4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC Name5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C18H17BrN2O4/c1-3-10-25-16-7-5-4-6-13(16)17(22)20-21-18(23)14-11-12(19)8-9-15(14)24-2/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23)
InChIKeyQVAXKIVTXNUILB-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.10
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

5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
5-bromo-2-(2-phenylethoxy)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 17046862
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6275932
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4177540
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide (CID 17094423) is 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is QVAXKIVTXNUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4/c1-3-10-25-16-7-5-4-6-13(16)17(22)20-21-18(23)14-11-12(19)8-9-15(14)24-2/h3-9,11H,1,10H2,2H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide?
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 405.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 17094423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).