2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide

C15H14BrFN2O2 — CID 105351399

IUPAC2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-13-8-12(17)5-6-14(13)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,18H2,(H,19,20)
InChIKeyNJBZSVXMDHNCGX-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide

2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide (PubChem CID 105351399) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
PubChem CID105351399
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2ccc(F)cc2Br)cc1
InChIInChI=1S/C15H14BrFN2O2/c16-13-8-12(17)5-6-14(13)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,18H2,(H,19,20)
InChIKeyNJBZSVXMDHNCGX-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.70
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-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894
5-[(2-bromo-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881036
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
2-[4-[(2,3-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351465
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126245549

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide (CID 105351399) is 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(COc2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is NJBZSVXMDHNCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-13-8-12(17)5-6-14(13)21-9-11-3-1-10(2-4-11)7-15(20)19-18/h1-6,8H,7,9,18H2,(H,19,20).
What are the key properties of 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide?
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 353.19 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).