2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide

C24H23BrN2O5 — CID 2461548

IUPAC2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(OC)ccc3Br)cc2)cc1
InChIInChI=1S/C24H23BrN2O5/c1-3-31-18-8-10-19(11-9-18)32-15-16-4-6-17(7-5-16)23(28)26-27-24(29)21-14-20(30-2)12-13-22(21)25/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYSCBQYXDIDSWQD-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.51
Rot. Bonds8

About 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide

2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide (PubChem CID 2461548) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
PubChem CID2461548
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC Name2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide
SMILESCCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(OC)ccc3Br)cc2)cc1
InChIInChI=1S/C24H23BrN2O5/c1-3-31-18-8-10-19(11-9-18)32-15-16-4-6-17(7-5-16)23(28)26-27-24(29)21-14-20(30-2)12-13-22(21)25/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYSCBQYXDIDSWQD-UHFFFAOYSA-N
XLogP4.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.51
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

N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
(4-methoxycarbonylphenyl)methyl 2-bromo-5-methoxybenzoate
CID 2637273
5-bromo-N'-(4-ethoxybenzoyl)-2-hydroxybenzohydrazide
CID 27163290
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide?
The IUPAC name of 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide (CID 2461548) is 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide.
What is the SMILES notation for 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide?
The canonical SMILES for 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide is CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(OC)ccc3Br)cc2)cc1.
What is the InChIKey of 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide?
The InChIKey is YSCBQYXDIDSWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-3-31-18-8-10-19(11-9-18)32-15-16-4-6-17(7-5-16)23(28)26-27-24(29)21-14-20(30-2)12-13-22(21)25/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide?
2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide has a molecular weight of 499.36 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-5-methoxybenzohydrazide is sourced from PubChem (CID 2461548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).