N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide

C14H14F5N3O3 — CID 44507876

IUPACN'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F)NO
InChIInChI=1S/C14H14F5N3O3/c15-10-7(11(16)13(18)14(19)12(10)17)6-20-21-8(23)4-2-1-3-5-9(24)22-25/h6,25H,1-5H2,(H,21,23)(H,22,24)/b20-6+
InChIKeyCEMNSLJSFLQFSB-CGOBSMCZSA-N
MW367.27 g/mol
LogP2.29
Rot. Bonds8

About N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide (PubChem CID 44507876) has the molecular formula C14H14F5N3O3 and a molecular weight of 367.27 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide
PubChem CID44507876
Molecular FormulaC14H14F5N3O3
Molecular Weight367.27 g/mol
Exact Mass367.10
IUPAC NameN'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F)NO
InChIInChI=1S/C14H14F5N3O3/c15-10-7(11(16)13(18)14(19)12(10)17)6-20-21-8(23)4-2-1-3-5-9(24)22-25/h6,25H,1-5H2,(H,21,23)(H,22,24)/b20-6+
InChIKeyCEMNSLJSFLQFSB-CGOBSMCZSA-N
XLogP2.29
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N-[(E)-(3-bromo-4-pyridinyl)methylideneamino]-N'-hydroxyheptanediamide
CID 44507860
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide (CID 44507876) is N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide?
The InChIKey is CEMNSLJSFLQFSB-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H14F5N3O3/c15-10-7(11(16)13(18)14(19)12(10)17)6-20-21-8(23)4-2-1-3-5-9(24)22-25/h6,25H,1-5H2,(H,21,23)(H,22,24)/b20-6+.
What are the key properties of N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide has a molecular weight of 367.27 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]heptanediamide is sourced from PubChem (CID 44507876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).