N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide

C20H12Cl2N2OS — CID 4210852

IUPACN-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H12Cl2N2OS/c21-14-11-15(22)17(23-19(25)12-6-2-1-3-7-12)10-13(14)20-24-16-8-4-5-9-18(16)26-20/h1-11H,(H,23,25)
InChIKeyIBRSWLRFPGCFGD-UHFFFAOYSA-N
MW399.30 g/mol
LogP6.52
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide

N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide (PubChem CID 4210852) has the molecular formula C20H12Cl2N2OS and a molecular weight of 399.30 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide
PubChem CID4210852
Molecular FormulaC20H12Cl2N2OS
Molecular Weight399.30 g/mol
Exact Mass398.00
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H12Cl2N2OS/c21-14-11-15(22)17(23-19(25)12-6-2-1-3-7-12)10-13(14)20-24-16-8-4-5-9-18(16)26-20/h1-11H,(H,23,25)
InChIKeyIBRSWLRFPGCFGD-UHFFFAOYSA-N
XLogP6.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]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

N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-butoxybenzamide
CID 4233678
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3-chloro-4-ethoxybenzamide
CID 4517418
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 5038970
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-(4-tert-butylphenoxy)acetamide
CID 3942758
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide
CID 17098725
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3266914
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
CID 4651005
N-[[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3967066
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide (CID 4210852) is N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide is O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide?
The InChIKey is IBRSWLRFPGCFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2OS/c21-14-11-15(22)17(23-19(25)12-6-2-1-3-7-12)10-13(14)20-24-16-8-4-5-9-18(16)26-20/h1-11H,(H,23,25).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide?
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide has a molecular weight of 399.30 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide is sourced from PubChem (CID 4210852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).