N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

C24H20F3N3O3 — CID 5221188

IUPACN'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C24H20F3N3O3/c1-16-8-10-17(11-9-16)15-33-21-7-2-4-18(12-21)14-28-30-23(32)22(31)29-20-6-3-5-19(13-20)24(25,26)27/h2-14H,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyIPSVWKKWMCUTCM-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.68
Rot. Bonds6

About N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 5221188) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID5221188
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC NameN'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C24H20F3N3O3/c1-16-8-10-17(11-9-16)15-33-21-7-2-4-18(12-21)14-28-30-23(32)22(31)29-20-6-3-5-19(13-20)24(25,26)27/h2-14H,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyIPSVWKKWMCUTCM-UHFFFAOYSA-N
XLogP4.68
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.68
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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Related Compounds

N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
N-ethyl-N'-[(Z)-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
CID 126164618
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8902517
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
N'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 5221188) is N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1ccc(COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is IPSVWKKWMCUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-16-8-10-17(11-9-16)15-33-21-7-2-4-18(12-21)14-28-30-23(32)22(31)29-20-6-3-5-19(13-20)24(25,26)27/h2-14H,15H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 455.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 5221188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).