N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide

C24H20F5N3O2 — CID 23164374

IUPACN'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Nc2ccccc2)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H20F5N3O2/c1-24(2,3)32(23(34)16-17(25)19(27)21(29)20(28)18(16)26)31-22(33)13-9-11-15(12-10-13)30-14-7-5-4-6-8-14/h4-12,30H,1-3H3,(H,31,33)
InChIKeyQTTKUAXNGDTXPV-UHFFFAOYSA-N
MW477.43 g/mol
LogP5.71
Rot. Bonds4

About N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide

N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide (PubChem CID 23164374) has the molecular formula C24H20F5N3O2 and a molecular weight of 477.43 g/mol. Its IUPAC name is N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
PubChem CID23164374
Molecular FormulaC24H20F5N3O2
Molecular Weight477.43 g/mol
Exact Mass477.15
IUPAC NameN'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Nc2ccccc2)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H20F5N3O2/c1-24(2,3)32(23(34)16-17(25)19(27)21(29)20(28)18(16)26)31-22(33)13-9-11-15(12-10-13)30-14-7-5-4-6-8-14/h4-12,30H,1-3H3,(H,31,33)
InChIKeyQTTKUAXNGDTXPV-UHFFFAOYSA-N
XLogP5.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 55.71
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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Related Compounds

N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N'-(4-anilinophenyl)-N'-phenylbenzohydrazide
CID 21276074
1-[3-[[benzoyl(tert-butyl)amino]carbamoyl]phenyl]-3-ethylurea
CID 134100555
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The IUPAC name of N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide (CID 23164374) is N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide.
What is the SMILES notation for N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The canonical SMILES for N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccc(Nc2ccccc2)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The InChIKey is QTTKUAXNGDTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N3O2/c1-24(2,3)32(23(34)16-17(25)19(27)21(29)20(28)18(16)26)31-22(33)13-9-11-15(12-10-13)30-14-7-5-4-6-8-14/h4-12,30H,1-3H3,(H,31,33).
What are the key properties of N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide has a molecular weight of 477.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide is sourced from PubChem (CID 23164374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).