4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide

C14H12ClFN2O2 — CID 63576415

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-12-7-11(16)5-6-13(12)20-8-9-1-3-10(4-2-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyHDHXAJHLFRTHHW-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.66
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide

4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide (PubChem CID 63576415) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
PubChem CID63576415
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-12-7-11(16)5-6-13(12)20-8-9-1-3-10(4-2-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyHDHXAJHLFRTHHW-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.66
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'}

Analyze 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
N-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
CID 156755436
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351399
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide (CID 63576415) is 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide?
The InChIKey is HDHXAJHLFRTHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-12-7-11(16)5-6-13(12)20-8-9-1-3-10(4-2-9)14(19)18-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide?
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide has a molecular weight of 294.71 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63576415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).