3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide

C14H11BrClFN2O2 — CID 107458149

IUPAC3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H11BrClFN2O2/c15-10-2-4-13(11(16)6-10)21-7-9-5-8(14(20)19-18)1-3-12(9)17/h1-6H,7,18H2,(H,19,20)
InChIKeyYDZRWRAGBGSDEE-UHFFFAOYSA-N
MW373.61 g/mol
LogP3.42
Rot. Bonds4

About 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide

3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide (PubChem CID 107458149) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
PubChem CID107458149
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H11BrClFN2O2/c15-10-2-4-13(11(16)6-10)21-7-9-5-8(14(20)19-18)1-3-12(9)17/h1-6H,7,18H2,(H,19,20)
InChIKeyYDZRWRAGBGSDEE-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 53.42
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

4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-4-fluorobenzoic acid
CID 107654987
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
4-[(2,4-dichlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682061
4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide (CID 107458149) is 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide?
The InChIKey is YDZRWRAGBGSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c15-10-2-4-13(11(16)6-10)21-7-9-5-8(14(20)19-18)1-3-12(9)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide?
3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide has a molecular weight of 373.61 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).