N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide

C16H12F2N4O2 — CID 596700

IUPACN,N'-bis[(2-fluorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1F)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C16H12F2N4O2/c17-13-7-3-1-5-11(13)9-19-21-15(23)16(24)22-20-10-12-6-2-4-8-14(12)18/h1-10H,(H,21,23)(H,22,24)
InChIKeyCNCHWCVHKCPEGQ-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.57
Rot. Bonds4

About N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide

N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide (PubChem CID 596700) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2-fluorophenyl)methylideneamino]oxamide
PubChem CID596700
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC NameN,N'-bis[(2-fluorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1F)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C16H12F2N4O2/c17-13-7-3-1-5-11(13)9-19-21-15(23)16(24)22-20-10-12-6-2-4-8-14(12)18/h1-10H,(H,21,23)(H,22,24)
InChIKeyCNCHWCVHKCPEGQ-UHFFFAOYSA-N
XLogP1.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide (CID 596700) is N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccccc1F)C(=O)NN=Cc1ccccc1F.
What is the InChIKey of N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide?
The InChIKey is CNCHWCVHKCPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-13-7-3-1-5-11(13)9-19-21-15(23)16(24)22-20-10-12-6-2-4-8-14(12)18/h1-10H,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide?
N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide has a molecular weight of 330.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).