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

C17H16BrClN2O4 — CID 17356627

IUPAC3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C17H16BrClN2O4/c1-24-8-9-25-15-7-6-11(10-13(15)18)16(22)20-21-17(23)12-4-2-3-5-14(12)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySKWGQVFAYPZDAW-UHFFFAOYSA-N
MW427.68 g/mol
LogP3.20
Rot. Bonds6

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

3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide (PubChem CID 17356627) has the molecular formula C17H16BrClN2O4 and a molecular weight of 427.68 g/mol. Its IUPAC name is 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
PubChem CID17356627
Molecular FormulaC17H16BrClN2O4
Molecular Weight427.68 g/mol
Exact Mass426.00
IUPAC Name3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C17H16BrClN2O4/c1-24-8-9-25-15-7-6-11(10-13(15)18)16(22)20-21-17(23)12-4-2-3-5-14(12)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySKWGQVFAYPZDAW-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 53.20
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

3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
CID 17073868
3-bromo-4-(2-methoxyethoxy)-N-[4-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 17251662
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
3-bromo-N'-(3-ethoxypropanoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17357979
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide (CID 17356627) is 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
The InChIKey is SKWGQVFAYPZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O4/c1-24-8-9-25-15-7-6-11(10-13(15)18)16(22)20-21-17(23)12-4-2-3-5-14(12)19/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide?
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide has a molecular weight of 427.68 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17356627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).