N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide

C20H12ClIN2OS — CID 4283027

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
SMILESO=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClIN2OS/c21-13-7-5-12(6-8-13)19(25)23-16-10-9-14(22)11-15(16)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)
InChIKeyDWARLEXJGIFTEL-UHFFFAOYSA-N
MW490.75 g/mol
LogP6.47
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide

N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide (PubChem CID 4283027) has the molecular formula C20H12ClIN2OS and a molecular weight of 490.75 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
PubChem CID4283027
Molecular FormulaC20H12ClIN2OS
Molecular Weight490.75 g/mol
Exact Mass489.94
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
SMILESO=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12ClIN2OS/c21-13-7-5-12(6-8-13)19(25)23-16-10-9-14(22)11-15(16)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)
InChIKeyDWARLEXJGIFTEL-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.75
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-chloro-4-methoxybenzamide
CID 3994584
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chloro-3-nitrobenzamide
CID 3668346
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3,4-dimethoxybenzamide
CID 4569294
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-propoxybenzamide
CID 3358025
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5016796
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3,5-dimethoxybenzamide
CID 22778187
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
4-amino-N-[4-[(4-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5068021
N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 3248575
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-methoxybenzamide
CID 3381705
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-4-(trifluoromethyl)benzamide
CID 162385461

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide (CID 4283027) is N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide is O=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide?
The InChIKey is DWARLEXJGIFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClIN2OS/c21-13-7-5-12(6-8-13)19(25)23-16-10-9-14(22)11-15(16)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide?
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide has a molecular weight of 490.75 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide is sourced from PubChem (CID 4283027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).