N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide

C18H16F2N2O4 — CID 9471970

IUPACN'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H16F2N2O4/c19-13-7-5-12(6-8-13)15(23)9-10-17(24)21-22-18(25)11-26-16-4-2-1-3-14(16)20/h1-8H,9-11H2,(H,21,24)(H,22,25)
InChIKeyKALUNWUTPUTISZ-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.15
Rot. Bonds7

About N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide

N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide (PubChem CID 9471970) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
PubChem CID9471970
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H16F2N2O4/c19-13-7-5-12(6-8-13)15(23)9-10-17(24)21-22-18(25)11-26-16-4-2-1-3-14(16)20/h1-8H,9-11H2,(H,21,24)(H,22,25)
InChIKeyKALUNWUTPUTISZ-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
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CID 2546824
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
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CID 9471875
N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
CID 9161711
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
CID 7434033
N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
CID 7978312
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide (CID 9471970) is N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide is O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)COc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
The InChIKey is KALUNWUTPUTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c19-13-7-5-12(6-8-13)15(23)9-10-17(24)21-22-18(25)11-26-16-4-2-1-3-14(16)20/h1-8H,9-11H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide has a molecular weight of 362.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide is sourced from PubChem (CID 9471970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).