N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

C17H12F5N3O2 — CID 3816825

IUPACN-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H12F5N3O2/c1-8(24-17(27)9-5-3-2-4-6-9)16(26)25-23-7-10-11(18)13(20)15(22)14(21)12(10)19/h2-8H,1H3,(H,24,27)(H,25,26)
InChIKeyFUHGWXGZBXAUJB-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.65
Rot. Bonds5

About N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (PubChem CID 3816825) has the molecular formula C17H12F5N3O2 and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
PubChem CID3816825
Molecular FormulaC17H12F5N3O2
Molecular Weight385.29 g/mol
Exact Mass385.08
IUPAC NameN-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H12F5N3O2/c1-8(24-17(27)9-5-3-2-4-6-9)16(26)25-23-7-10-11(18)13(20)15(22)14(21)12(10)19/h2-8H,1H3,(H,24,27)(H,25,26)
InChIKeyFUHGWXGZBXAUJB-UHFFFAOYSA-N
XLogP2.65
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.65
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3468743
N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3940668
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
N-[(2R)-1-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 136861943
N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
2-bromo-N-[1-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3903943

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (CID 3816825) is N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is FUHGWXGZBXAUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O2/c1-8(24-17(27)9-5-3-2-4-6-9)16(26)25-23-7-10-11(18)13(20)15(22)14(21)12(10)19/h2-8H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 385.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 3816825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).