N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide

C21H25F2N3O3 — CID 3080433

IUPACN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide
SMILESCCN(CC)C(C)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O3/c1-4-26(5-2)14(3)19(27)24-25-20(28)21(29,15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-14,29H,4-5H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyRUTAEVOJVUQLTQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.08
Rot. Bonds7

About N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide

N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide (PubChem CID 3080433) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide.

Molecular Properties

Compound NameN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide
PubChem CID3080433
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide
SMILESCCN(CC)C(C)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25F2N3O3/c1-4-26(5-2)14(3)19(27)24-25-20(28)21(29,15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-14,29H,4-5H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyRUTAEVOJVUQLTQ-UHFFFAOYSA-N
XLogP2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide?
The IUPAC name of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide (CID 3080433) is N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide.
What is the SMILES notation for N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide?
The canonical SMILES for N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide is CCN(CC)C(C)C(=O)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide?
The InChIKey is RUTAEVOJVUQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-4-26(5-2)14(3)19(27)24-25-20(28)21(29,15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-14,29H,4-5H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide?
N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide has a molecular weight of 405.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]-2-(diethylamino)propanehydrazide is sourced from PubChem (CID 3080433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).