N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

C18H16F3N3O4 — CID 3105084

IUPACN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16F3N3O4/c1-27-14-6-7-15(28-2)11(8-14)10-22-24-17(26)16(25)23-13-5-3-4-12(9-13)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeySRFBQFKIXMFJEE-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.81
Rot. Bonds5

About N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 3105084) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID3105084
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H16F3N3O4/c1-27-14-6-7-15(28-2)11(8-14)10-22-24-17(26)16(25)23-13-5-3-4-12(9-13)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeySRFBQFKIXMFJEE-UHFFFAOYSA-N
XLogP2.81
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 3105084) is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is COc1ccc(OC)c(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is SRFBQFKIXMFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-27-14-6-7-15(28-2)11(8-14)10-22-24-17(26)16(25)23-13-5-3-4-12(9-13)18(19,20)21/h3-10H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 395.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 3105084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).