4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide

C19H17FN6O3 — CID 4847256

IUPAC4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN6O3/c20-15-8-6-13(7-9-15)16(27)10-11-17(28)21-22-18(29)12-26-24-19(23-25-26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,21,28)(H,22,29)
InChIKeyLXAZGIQUDAQUJO-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.29
Rot. Bonds7

About 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide

4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide (PubChem CID 4847256) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide
PubChem CID4847256
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C19H17FN6O3/c20-15-8-6-13(7-9-15)16(27)10-11-17(28)21-22-18(29)12-26-24-19(23-25-26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,21,28)(H,22,29)
InChIKeyLXAZGIQUDAQUJO-UHFFFAOYSA-N
XLogP1.29
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide (CID 4847256) is 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide is O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide?
The InChIKey is LXAZGIQUDAQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c20-15-8-6-13(7-9-15)16(27)10-11-17(28)21-22-18(29)12-26-24-19(23-25-26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,21,28)(H,22,29).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide?
4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide has a molecular weight of 396.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N'-[2-(5-phenyltetrazol-2-yl)acetyl]butanehydrazide is sourced from PubChem (CID 4847256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).