N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide

C20H12BrClN2OS — CID 2283555

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C20H12BrClN2OS/c21-14-6-2-1-5-13(14)19(25)23-17-11-12(9-10-15(17)22)20-24-16-7-3-4-8-18(16)26-20/h1-11H,(H,23,25)
InChIKeyXORHVZFRXZCKHV-UHFFFAOYSA-N
MW443.75 g/mol
LogP6.63
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide (PubChem CID 2283555) has the molecular formula C20H12BrClN2OS and a molecular weight of 443.75 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
PubChem CID2283555
Molecular FormulaC20H12BrClN2OS
Molecular Weight443.75 g/mol
Exact Mass441.95
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C20H12BrClN2OS/c21-14-6-2-1-5-13(14)19(25)23-17-11-12(9-10-15(17)22)20-24-16-7-3-4-8-18(16)26-20/h1-11H,(H,23,25)
InChIKeyXORHVZFRXZCKHV-UHFFFAOYSA-N
XLogP6.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.75
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-chloroacetamide
CID 91683689
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
CID 739213
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 3888323
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-bromobenzamide
CID 4508519
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
CID 2277461
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
CID 112772424
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782740
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
CID 46364001
2-(4-bromo-3-chlorophenyl)-1,3-benzothiazole
CID 94675121

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide (CID 2283555) is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide is O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1Br.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide?
The InChIKey is XORHVZFRXZCKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2OS/c21-14-6-2-1-5-13(14)19(25)23-17-11-12(9-10-15(17)22)20-24-16-7-3-4-8-18(16)26-20/h1-11H,(H,23,25).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide has a molecular weight of 443.75 g/mol, XLogP of 6.63, 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-chlorophenyl]-2-bromobenzamide is sourced from PubChem (CID 2283555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).