4-[(3-chlorophenoxy)methyl]benzohydrazide

C14H13ClN2O2 — CID 7022246

IUPAC4-[(3-chlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyKAHZZALCMJGSFS-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.52
Rot. Bonds4

About 4-[(3-chlorophenoxy)methyl]benzohydrazide

4-[(3-chlorophenoxy)methyl]benzohydrazide (PubChem CID 7022246) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]benzohydrazide
PubChem CID7022246
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-[(3-chlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyKAHZZALCMJGSFS-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.52
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-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19400752
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19284353
2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
CID 175087244
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]benzohydrazide (CID 7022246) is 4-[(3-chlorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]benzohydrazide?
The InChIKey is KAHZZALCMJGSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 4-[(3-chlorophenoxy)methyl]benzohydrazide?
4-[(3-chlorophenoxy)methyl]benzohydrazide has a molecular weight of 276.72 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 7022246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).