2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide

C14H12ClFN2OS — CID 25237588

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H12ClFN2OS/c1-9-5-6-10(20-9)8-17-18-14(19)7-11-12(15)3-2-4-13(11)16/h2-6,8H,7H2,1H3,(H,18,19)/b17-8+
InChIKeyZRAHAUFWPFXCKS-CAOOACKPSA-N
MW310.78 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 25237588) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID25237588
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H12ClFN2OS/c1-9-5-6-10(20-9)8-17-18-14(19)7-11-12(15)3-2-4-13(11)16/h2-6,8H,7H2,1H3,(H,18,19)/b17-8+
InChIKeyZRAHAUFWPFXCKS-CAOOACKPSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide (CID 25237588) is 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is ZRAHAUFWPFXCKS-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c1-9-5-6-10(20-9)8-17-18-14(19)7-11-12(15)3-2-4-13(11)16/h2-6,8H,7H2,1H3,(H,18,19)/b17-8+.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 310.78 g/mol, XLogP of 3.54, 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)-(5-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 25237588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).