5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide

C14H12BrClN2O2 — CID 91681758

IUPAC5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-10-3-6-13(12(7-10)14(19)18-17)20-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyJVBGZLSHLVEYRN-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide

5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide (PubChem CID 91681758) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
PubChem CID91681758
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O2/c15-10-3-6-13(12(7-10)14(19)18-17)20-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyJVBGZLSHLVEYRN-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
5-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353410
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
(4-chlorophenyl)methyl 2-acetamido-5-bromobenzoate
CID 19591123
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
[4-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6035159
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The IUPAC name of 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide (CID 91681758) is 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide is NNC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide?
The InChIKey is JVBGZLSHLVEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-10-3-6-13(12(7-10)14(19)18-17)20-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide?
5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide has a molecular weight of 355.62 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91681758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).