3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide

C14H11BrCl2N2O2 — CID 91683383

IUPAC3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2N2O2/c15-10-6-9(14(20)19-18)2-4-13(10)21-7-8-1-3-11(16)12(17)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyXFIKMDTYVCSSIK-UHFFFAOYSA-N
MW390.06 g/mol
LogP3.94
Rot. Bonds4

About 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide

3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide (PubChem CID 91683383) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
PubChem CID91683383
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2N2O2/c15-10-6-9(14(20)19-18)2-4-13(10)21-7-8-1-3-11(16)12(17)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyXFIKMDTYVCSSIK-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 53.94
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

3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
prop-2-ynyl 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzoate
CID 91683409
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
(E)-3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684801
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 132591182
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The IUPAC name of 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide (CID 91683383) is 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide is NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
The InChIKey is XFIKMDTYVCSSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c15-10-6-9(14(20)19-18)2-4-13(10)21-7-8-1-3-11(16)12(17)5-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide?
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide has a molecular weight of 390.06 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91683383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).