2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C13H10ClFN2OS — CID 25237585

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N/N=C/c1cccs1
InChIInChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)7-13(18)17-16-8-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8+
InChIKeyMNUFHOQBBCGCAH-LZYBPNLTSA-N
MW296.75 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 25237585) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID25237585
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N/N=C/c1cccs1
InChIInChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)7-13(18)17-16-8-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8+
InChIKeyMNUFHOQBBCGCAH-LZYBPNLTSA-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

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126131430
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 681491
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
CID 6875689
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 25237585) is 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(Cc1c(F)cccc1Cl)N/N=C/c1cccs1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is MNUFHOQBBCGCAH-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c14-11-4-1-5-12(15)10(11)7-13(18)17-16-8-9-3-2-6-19-9/h1-6,8H,7H2,(H,17,18)/b16-8+.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide 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 2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 25237585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).