N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide

C18H19BrN2O4 — CID 8870531

IUPACN'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
SMILESCCOCc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(22)20-21-18(23)14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCTIKPOPUAXRXBG-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.07
Rot. Bonds6

About N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide

N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide (PubChem CID 8870531) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
PubChem CID8870531
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
SMILESCCOCc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(22)20-21-18(23)14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCTIKPOPUAXRXBG-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.07
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

2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea
CID 9085178
N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
3-(ethoxymethyl)-4-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583807
3-(ethoxymethyl)-4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 24502664
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
2-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 5087657
N'-(2-bromo-4-fluorobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9151469

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide (CID 8870531) is N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide is CCOCc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC.
What is the InChIKey of N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide?
The InChIKey is CTIKPOPUAXRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-25-11-13-10-12(8-9-16(13)24-2)17(22)20-21-18(23)14-6-4-5-7-15(14)19/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide?
N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide has a molecular weight of 407.26 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide is sourced from PubChem (CID 8870531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).