3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide

C15H21BrN2O5 — CID 17357979

IUPAC3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C15H21BrN2O5/c1-3-22-7-6-14(19)17-18-15(20)11-4-5-13(12(16)10-11)23-9-8-21-2/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMQQQXLBASQDVQH-UHFFFAOYSA-N
MW389.25 g/mol
LogP1.66
Rot. Bonds9

About 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide

3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide (PubChem CID 17357979) has the molecular formula C15H21BrN2O5 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
PubChem CID17357979
Molecular FormulaC15H21BrN2O5
Molecular Weight389.25 g/mol
Exact Mass388.06
IUPAC Name3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C15H21BrN2O5/c1-3-22-7-6-14(19)17-18-15(20)11-4-5-13(12(16)10-11)23-9-8-21-2/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMQQQXLBASQDVQH-UHFFFAOYSA-N
XLogP1.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
CID 17140929
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-N-[(hexanoylamino)carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17357122
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
3-bromo-4-(2-methoxyethoxy)-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17356663
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
N-[4-[[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17356679

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide (CID 17357979) is 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide is CCOCCC(=O)NNC(=O)c1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide?
The InChIKey is MQQQXLBASQDVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O5/c1-3-22-7-6-14(19)17-18-15(20)11-4-5-13(12(16)10-11)23-9-8-21-2/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide?
3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide has a molecular weight of 389.25 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17357979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).