4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide

C15H14ClFN2O3 — CID 91681857

IUPAC4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O3/c1-21-14-6-9(15(20)19-18)3-5-13(14)22-8-10-2-4-11(17)7-12(10)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyVPRGXNUVQGADQH-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.67
Rot. Bonds5

About 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide

4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide (PubChem CID 91681857) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
PubChem CID91681857
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O3/c1-21-14-6-9(15(20)19-18)3-5-13(14)22-8-10-2-4-11(17)7-12(10)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyVPRGXNUVQGADQH-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
4-[[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]methyl]benzoate
CID 27013344
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
(E)-3-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl chloride
CID 91685230
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
CID 91685924
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
4-[(2,4-dichlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide (CID 91681857) is 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide is COc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide?
The InChIKey is VPRGXNUVQGADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-21-14-6-9(15(20)19-18)3-5-13(14)22-8-10-2-4-11(17)7-12(10)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide?
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide has a molecular weight of 324.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide is sourced from PubChem (CID 91681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).