N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide

C18H17FN2O5 — CID 7946052

IUPACN'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O5/c1-11(22)13-5-8-15(16(9-13)25-2)26-10-17(23)20-21-18(24)12-3-6-14(19)7-4-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUNMHQOWXFVCZII-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.88
Rot. Bonds6

About N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide

N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide (PubChem CID 7946052) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
PubChem CID7946052
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC NameN'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O5/c1-11(22)13-5-8-15(16(9-13)25-2)26-10-17(23)20-21-18(24)12-3-6-14(19)7-4-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUNMHQOWXFVCZII-UHFFFAOYSA-N
XLogP1.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7771685
4-fluoro-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9038094
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
2-(4-acetyl-2-methoxyphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8808304
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
3-methoxy-4-propoxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55616585
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide (CID 7946052) is N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide is COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide?
The InChIKey is UNMHQOWXFVCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c1-11(22)13-5-8-15(16(9-13)25-2)26-10-17(23)20-21-18(24)12-3-6-14(19)7-4-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide?
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide has a molecular weight of 360.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 7946052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).