3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide

C18H18BrFN2O5 — CID 4788525

IUPAC3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide
SMILESCCOc1c(Br)cc(C(=O)NNC(=O)COc2ccccc2F)cc1OC
InChIInChI=1S/C18H18BrFN2O5/c1-3-26-17-12(19)8-11(9-15(17)25-2)18(24)22-21-16(23)10-27-14-7-5-4-6-13(14)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGBZUTSVLIFSNB-UHFFFAOYSA-N
MW441.25 g/mol
LogP2.84
Rot. Bonds7

About 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide

3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide (PubChem CID 4788525) has the molecular formula C18H18BrFN2O5 and a molecular weight of 441.25 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide
PubChem CID4788525
Molecular FormulaC18H18BrFN2O5
Molecular Weight441.25 g/mol
Exact Mass440.04
IUPAC Name3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide
SMILESCCOc1c(Br)cc(C(=O)NNC(=O)COc2ccccc2F)cc1OC
InChIInChI=1S/C18H18BrFN2O5/c1-3-26-17-12(19)8-11(9-15(17)25-2)18(24)22-21-16(23)10-27-14-7-5-4-6-13(14)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGBZUTSVLIFSNB-UHFFFAOYSA-N
XLogP2.84
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzyloxy)-3-bromo-5-methoxybenzamide
CID 847699
3-Bromo-4,5-diethoxybenzamide
CID 900801
3-(Benzyloxy)-5-bromo-4-methoxybenzamide
CID 900803
3-Bromo-5-ethoxy-4-methoxybenzamide
CID 900806
3-Bromo-4-ethoxy-5-phenylmethoxybenzamide
CID 1008052
3-Bromo-5-ethoxy-4-propoxybenzamide
CID 1796407
3-Bromo-5-ethoxy-4-phenylmethoxybenzamide
CID 1259879
N'-[3-(3-bromophenoxy)propanoyl]-3,4,5-trimethoxybenzohydrazide
CID 2501843
N'-(2-bromobenzoyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 24981980
3-Bromo-4-ethoxy-5-methoxybenzamide
CID 900804
3-Bromo-5-methoxy-4-propoxybenzamide
CID 1796408
N'-[(E)-3-(2-bromophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 90675567

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide?
The IUPAC name of 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide (CID 4788525) is 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide.
What is the SMILES notation for 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide?
The canonical SMILES for 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide is CCOc1c(Br)cc(C(=O)NNC(=O)COc2ccccc2F)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide?
The InChIKey is OGBZUTSVLIFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O5/c1-3-26-17-12(19)8-11(9-15(17)25-2)18(24)22-21-16(23)10-27-14-7-5-4-6-13(14)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide?
3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide has a molecular weight of 441.25 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N'-[2-(2-fluorophenoxy)acetyl]-5-methoxybenzohydrazide is sourced from PubChem (CID 4788525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).