N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H10ClFN2OS — CID 5395166

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-
InChIKeyZBJCNLUNORQWNG-PXNMLYILSA-N
MW296.75 g/mol
LogP3.23
Rot. Bonds4

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5395166) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5395166
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-
InChIKeyZBJCNLUNORQWNG-PXNMLYILSA-N
XLogP3.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6879499
2-(2-chloro-6-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
CID 25237585
N'-(2-Methyl-3-phenyl-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 6893910
(E)-N'-((Z)-2-chloro-3-phenylallylidene)-2-(thiophen-2-yl)acetohydrazide
CID 6862490
N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
CID 6878559
2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5334789
2-[(4-chlorobenzyl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide
CID 6876501
2-(4-chlorophenyl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9686944
2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 5334945
2-(2-chloro-6-fluorophenyl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 25237588
N'-(2-bromo-3-phenyl-2-propen-1-ylidene)-2-(2-thienyl)acetohydrazide
CID 5728169
N'-(3-Phenyl-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 6880429

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 5395166) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is ZBJCNLUNORQWNG-PXNMLYILSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)8-16-17-13(18)7-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 296.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5395166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).