N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide

C19H15ClN2OS — CID 71624111

IUPACN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C19H15ClN2OS/c1-13-9-10-16(24-13)12-21-18-8-3-2-7-17(18)19(23)22-15-6-4-5-14(20)11-15/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyGSVKCEWVQZSSCL-CIAFOILYSA-N
MW354.86 g/mol
LogP5.71
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide

N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 71624111) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID71624111
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC NameN-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/c2ccccc2C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C19H15ClN2OS/c1-13-9-10-16(24-13)12-21-18-8-3-2-7-17(18)19(23)22-15-6-4-5-14(20)11-15/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyGSVKCEWVQZSSCL-CIAFOILYSA-N
XLogP5.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
CID 71624582
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624696
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789534
2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
CID 693562
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1100731
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 71624111) is N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/c2ccccc2C(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is GSVKCEWVQZSSCL-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13-9-10-16(24-13)12-21-18-8-3-2-7-17(18)19(23)22-15-6-4-5-14(20)11-15/h2-12H,1H3,(H,22,23)/b21-12+.
What are the key properties of N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 354.86 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 71624111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).