N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide

C15H11BrClFN2O3 — CID 9085244

IUPACN'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClFN2O3/c1-23-13-5-3-9(17)7-11(13)15(22)20-19-14(21)10-4-2-8(16)6-12(10)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyLJGHYBFPWQKWAH-UHFFFAOYSA-N
MW401.62 g/mol
LogP3.33
Rot. Bonds3

About N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide

N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide (PubChem CID 9085244) has the molecular formula C15H11BrClFN2O3 and a molecular weight of 401.62 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
PubChem CID9085244
Molecular FormulaC15H11BrClFN2O3
Molecular Weight401.62 g/mol
Exact Mass399.96
IUPAC NameN'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClFN2O3/c1-23-13-5-3-9(17)7-11(13)15(22)20-19-14(21)10-4-2-8(16)6-12(10)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyLJGHYBFPWQKWAH-UHFFFAOYSA-N
XLogP3.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
CID 9086771

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide?
The IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide (CID 9085244) is N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide?
The InChIKey is LJGHYBFPWQKWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O3/c1-23-13-5-3-9(17)7-11(13)15(22)20-19-14(21)10-4-2-8(16)6-12(10)18/h2-7H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide?
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide has a molecular weight of 401.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 9085244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).