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

C15H16F3N3O2 — CID 6292398

IUPACN-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1C(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)/b19-9-
InChIKeyNWKBTPHTZRFLIS-OCKHKDLRSA-N
MW327.31 g/mol
LogP2.21
Rot. Bonds3

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

N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 6292398) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID6292398
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccccc1C(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)/b19-9-
InChIKeyNWKBTPHTZRFLIS-OCKHKDLRSA-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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Related Compounds

N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
N'-(benzylideneamino)-N-(2-phenylethyl)oxamide
CID 3105061
2-(N'-Cyclopentylidene-hydrazino)-2-oxo-N-phenethyl-acetamide
CID 2844383
2-Oxo-N-phenethyl-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593474
2-(1-azocanyl)-N'-[2-(trifluoromethyl)benzylidene]acetohydrazide
CID 5331839
(2S)-5-oxo-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrrolidine-2-carboxamide
CID 156011411
(2S)-N-[(E)-(2,5-difluorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 156021046
N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3117762
N-(2-phenylethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3117763
N-allyl-2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoacetamide
CID 5333293
N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide
CID 5333399
N'-[(E)-(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 5334235

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 6292398) is N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(N/N=C\c1ccccc1C(F)(F)F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is NWKBTPHTZRFLIS-OCKHKDLRSA-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)/b19-9-.
What are the key properties of N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-cyclopentyl-N'-[(Z)-[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'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 6292398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).