N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide

C16H10F5N3O2 — CID 6884306

IUPACN-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F5N3O2/c17-11-9(12(18)14(20)15(21)13(11)19)6-23-24-10(25)7-22-16(26)8-4-2-1-3-5-8/h1-6H,7H2,(H,22,26)(H,24,25)/b23-6+
InChIKeyDSRSKKHFSAEQJG-TXNBCWFRSA-N
MW371.27 g/mol
LogP2.26
Rot. Bonds5

About N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide

N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 6884306) has the molecular formula C16H10F5N3O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID6884306
Molecular FormulaC16H10F5N3O2
Molecular Weight371.27 g/mol
Exact Mass371.07
IUPAC NameN-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F5N3O2/c17-11-9(12(18)14(20)15(21)13(11)19)6-23-24-10(25)7-22-16(26)8-4-2-1-3-5-8/h1-6H,7H2,(H,22,26)(H,24,25)/b23-6+
InChIKeyDSRSKKHFSAEQJG-TXNBCWFRSA-N
XLogP2.26
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.26
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-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 570652
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3816825
N-[2-[(2E)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615624
N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135685403
3-bromo-N-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6249030
N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 5023705

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 6884306) is N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is DSRSKKHFSAEQJG-TXNBCWFRSA-N. The full InChI is InChI=1S/C16H10F5N3O2/c17-11-9(12(18)14(20)15(21)13(11)19)6-23-24-10(25)7-22-16(26)8-4-2-1-3-5-8/h1-6H,7H2,(H,22,26)(H,24,25)/b23-6+.
What are the key properties of N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide?
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 371.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6884306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).