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

C13H11ClN2OS — CID 5396825

IUPAC2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C13H11ClN2OS/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyNIACNAIIJUJECF-NVNXTCNLSA-N
MW278.76 g/mol
LogP3.47
Rot. Bonds3

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

2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 5396825) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID5396825
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C13H11ClN2OS/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyNIACNAIIJUJECF-NVNXTCNLSA-N
XLogP3.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.47
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-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-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 5396825) is 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is NIACNAIIJUJECF-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9-6-7-10(18-9)8-15-16-13(17)11-4-2-3-5-12(11)14/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 278.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5396825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).