N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C15H16F3N3O2 — CID 5177585

IUPACN-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-8-4-1-5-10(12)9-19-21-14(23)13(22)20-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,20,22)(H,21,23)
InChIKeyNWKBTPHTZRFLIS-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.21
Rot. Bonds3

About N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 5177585) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID5177585
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1C(F)(F)F)C(=O)NC1CCCC1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-8-4-1-5-10(12)9-19-21-14(23)13(22)20-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,20,22)(H,21,23)
InChIKeyNWKBTPHTZRFLIS-UHFFFAOYSA-N
XLogP2.21
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 5177585) is N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(NN=Cc1ccccc1C(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is NWKBTPHTZRFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)12-8-4-1-5-10(12)9-19-21-14(23)13(22)20-11-6-2-3-7-11/h1,4-5,8-9,11H,2-3,6-7H2,(H,20,22)(H,21,23).
What are the key properties of N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 327.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 5177585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).