N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide

C24H15F5N2OS — CID 20696223

IUPACN'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide
SMILESO=C(NNC(c1ccccc1)(c1ccccc1)c1cccs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H15F5N2OS/c25-18-17(19(26)21(28)22(29)20(18)27)23(32)30-31-24(16-12-7-13-33-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,31H,(H,30,32)
InChIKeyNDQWDSNYGRATAF-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.67
Rot. Bonds6

About N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide

N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide (PubChem CID 20696223) has the molecular formula C24H15F5N2OS and a molecular weight of 474.45 g/mol. Its IUPAC name is N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide.

Molecular Properties

Compound NameN'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide
PubChem CID20696223
Molecular FormulaC24H15F5N2OS
Molecular Weight474.45 g/mol
Exact Mass474.08
IUPAC NameN'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide
SMILESO=C(NNC(c1ccccc1)(c1ccccc1)c1cccs1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H15F5N2OS/c25-18-17(19(26)21(28)22(29)20(18)27)23(32)30-31-24(16-12-7-13-33-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,31H,(H,30,32)
InChIKeyNDQWDSNYGRATAF-UHFFFAOYSA-N
XLogP5.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.67
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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Frequently Asked Questions

What is the IUPAC name of N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide?
The IUPAC name of N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide (CID 20696223) is N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide.
What is the SMILES notation for N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide?
The canonical SMILES for N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide is O=C(NNC(c1ccccc1)(c1ccccc1)c1cccs1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide?
The InChIKey is NDQWDSNYGRATAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N2OS/c25-18-17(19(26)21(28)22(29)20(18)27)23(32)30-31-24(16-12-7-13-33-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,31H,(H,30,32).
What are the key properties of N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide?
N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide has a molecular weight of 474.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[diphenyl(thiophen-2-yl)methyl]-2,3,4,5,6-pentafluorobenzohydrazide is sourced from PubChem (CID 20696223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).