N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide

C16H10F5N3O2 — CID 9155826

IUPACN-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H10F5N3O2/c1-7-2-4-8(5-3-7)23-15(25)16(26)24-22-6-9-10(17)12(19)14(21)13(20)11(9)18/h2-6H,1H3,(H,23,25)(H,24,26)/b22-6-
InChIKeyXDUNNVLOFNJWBJ-HCDFXORVSA-N
MW371.27 g/mol
LogP2.78
Rot. Bonds3

About N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide

N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide (PubChem CID 9155826) has the molecular formula C16H10F5N3O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
PubChem CID9155826
Molecular FormulaC16H10F5N3O2
Molecular Weight371.27 g/mol
Exact Mass371.07
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H10F5N3O2/c1-7-2-4-8(5-3-7)23-15(25)16(26)24-22-6-9-10(17)12(19)14(21)13(20)11(9)18/h2-6H,1H3,(H,23,25)(H,24,26)/b22-6-
InChIKeyXDUNNVLOFNJWBJ-HCDFXORVSA-N
XLogP2.78
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N'-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 94863609

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide (CID 9155826) is N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The InChIKey is XDUNNVLOFNJWBJ-HCDFXORVSA-N. The full InChI is InChI=1S/C16H10F5N3O2/c1-7-2-4-8(5-3-7)23-15(25)16(26)24-22-6-9-10(17)12(19)14(21)13(20)11(9)18/h2-6H,1H3,(H,23,25)(H,24,26)/b22-6-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide has a molecular weight of 371.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 9155826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).