3-[(3,4-dichlorophenoxy)methyl]benzohydrazide

C14H12Cl2N2O2 — CID 63575567

IUPAC3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-4-11(7-13(12)16)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeySHDNOEIGLHUVOS-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.18
Rot. Bonds4

About 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide

3-[(3,4-dichlorophenoxy)methyl]benzohydrazide (PubChem CID 63575567) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
PubChem CID63575567
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-4-11(7-13(12)16)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeySHDNOEIGLHUVOS-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.18
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-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide (CID 63575567) is 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide is NNC(=O)c1cccc(COc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide?
The InChIKey is SHDNOEIGLHUVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-5-4-11(7-13(12)16)20-8-9-2-1-3-10(6-9)14(19)18-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide?
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide has a molecular weight of 311.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63575567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).