2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide

C18H19BrN2O4 — CID 17139785

IUPAC2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
SMILESCCOCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-2-24-10-11-25-14-7-5-6-13(12-14)17(22)20-21-18(23)15-8-3-4-9-16(15)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQSNIUWQILKLCW-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.94
Rot. Bonds7

About 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide

2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide (PubChem CID 17139785) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
PubChem CID17139785
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
SMILESCCOCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-2-24-10-11-25-14-7-5-6-13(12-14)17(22)20-21-18(23)15-8-3-4-9-16(15)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQSNIUWQILKLCW-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957845
3-(2-ethoxyethoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide
CID 17140024
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
CID 17139777
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide (CID 17139785) is 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide is CCOCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The InChIKey is IQSNIUWQILKLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-2-24-10-11-25-14-7-5-6-13(12-14)17(22)20-21-18(23)15-8-3-4-9-16(15)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide?
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide has a molecular weight of 407.26 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 17139785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).