N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C14H15ClFN3O3 — CID 7034169

IUPACN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFN3O3/c15-11-4-1-5-12(16)10(11)8-18-19-14(21)13(20)17-7-9-3-2-6-22-9/h1,4-5,8-9H,2-3,6-7H2,(H,17,20)(H,19,21)/b18-8-/t9-/m1/s1
InChIKeyGFUCUCLKLOMBNX-YSUMALLGSA-N
MW327.74 g/mol
LogP1.22
Rot. Bonds4

About N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 7034169) has the molecular formula C14H15ClFN3O3 and a molecular weight of 327.74 g/mol. Its IUPAC name is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID7034169
Molecular FormulaC14H15ClFN3O3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC NameN'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFN3O3/c15-11-4-1-5-12(16)10(11)8-18-19-14(21)13(20)17-7-9-3-2-6-22-9/h1,4-5,8-9H,2-3,6-7H2,(H,17,20)(H,19,21)/b18-8-/t9-/m1/s1
InChIKeyGFUCUCLKLOMBNX-YSUMALLGSA-N
XLogP1.22
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 51.22
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

2-[2-(3-chlorobenzylidene)hydrazino]-2-oxo-N-(tetrahydro-2-furanylmethyl)acetamide
CID 5336011
2-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 9597875
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)oxamide
CID 3622128
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 4262582
N'-[(Z)-(2-chloro-6-fluorophenyl)methylidene]-2-oxo-2-(pyrrolidin-1-yl)acetohydrazide
CID 6051644
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7034170
N-[(1E)-2-(2-chloro-6-fluorophenyl)-1-azavinyl]-2-oxo-2-pyrrolidinylacetamide
CID 9655309
N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 9691036
N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9691037
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 17730980
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 94837867
N'-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-N-cyclopentyloxamide
CID 94847568

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 7034169) is N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is GFUCUCLKLOMBNX-YSUMALLGSA-N. The full InChI is InChI=1S/C14H15ClFN3O3/c15-11-4-1-5-12(16)10(11)8-18-19-14(21)13(20)17-7-9-3-2-6-22-9/h1,4-5,8-9H,2-3,6-7H2,(H,17,20)(H,19,21)/b18-8-/t9-/m1/s1.
What are the key properties of N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 327.74 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7034169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).