N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide

C17H14F4N2O3 — CID 3442692

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C17H14F4N2O3/c1-8-3-4-9(2)12(5-8)26-7-13(24)22-23-17(25)10-6-11(18)15(20)16(21)14(10)19/h3-6H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVYXGWBTWQBWIZ-UHFFFAOYSA-N
MW370.30 g/mol
LogP2.70
Rot. Bonds4

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide (PubChem CID 3442692) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
PubChem CID3442692
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C17H14F4N2O3/c1-8-3-4-9(2)12(5-8)26-7-13(24)22-23-17(25)10-6-11(18)15(20)16(21)14(10)19/h3-6H,7H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQVYXGWBTWQBWIZ-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 35819656
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27568831
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide (CID 3442692) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide?
The InChIKey is QVYXGWBTWQBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-8-3-4-9(2)12(5-8)26-7-13(24)22-23-17(25)10-6-11(18)15(20)16(21)14(10)19/h3-6H,7H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide has a molecular weight of 370.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide is sourced from PubChem (CID 3442692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).