2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide

C12H8Cl2N2OS — CID 4192848

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-10-4-2-1-3-9(10)12(17)16-15-7-8-5-6-11(14)18-8/h1-7H,(H,16,17)
InChIKeyJJMQZVICKKTXSH-UHFFFAOYSA-N
MW299.18 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide

2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide (PubChem CID 4192848) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
PubChem CID4192848
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Cl)s1)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-10-4-2-1-3-9(10)12(17)16-15-7-8-5-6-11(14)18-8/h1-7H,(H,16,17)
InChIKeyJJMQZVICKKTXSH-UHFFFAOYSA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.82
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-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 3529233
methyl N-[(5-chlorothiophen-2-yl)methylideneamino]carbamate
CID 3254663
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[4-[[(Z)-(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 92847304
2-chloro-N-[4-[[(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 171135913
2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
CID 135576830
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide (CID 4192848) is 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc(Cl)s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide?
The InChIKey is JJMQZVICKKTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-10-4-2-1-3-9(10)12(17)16-15-7-8-5-6-11(14)18-8/h1-7H,(H,16,17).
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide has a molecular weight of 299.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4192848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).