N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide

C13H14F3N3O2 — CID 126006156

IUPACN-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-2-7-17-11(20)12(21)19-18-8-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H,19,21)/b18-8-
InChIKeyUVLLXADGXSTYRD-LSCVHKIXSA-N
MW301.27 g/mol
LogP1.68
Rot. Bonds4

About N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 126006156) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID126006156
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-2-7-17-11(20)12(21)19-18-8-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H,19,21)/b18-8-
InChIKeyUVLLXADGXSTYRD-LSCVHKIXSA-N
XLogP1.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
CID 5363154
N'-[(Z)-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126159130
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 21212825
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
1-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
CID 4862711

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 126006156) is N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide is CCCNC(=O)C(=O)N/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is UVLLXADGXSTYRD-LSCVHKIXSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-7-17-11(20)12(21)19-18-8-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,20)(H,19,21)/b18-8-.
What are the key properties of N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 301.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126006156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).