2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

C19H12BrClN2O2S — CID 54783479

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H12BrClN2O2S/c20-18-13-4-2-1-3-11(13)5-8-15(18)25-10-17(24)23-19-22-14-7-6-12(21)9-16(14)26-19/h1-9H,10H2,(H,22,23,24)
InChIKeyAWZNABZXBBXXDQ-UHFFFAOYSA-N
MW447.74 g/mol
LogP5.88
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 54783479) has the molecular formula C19H12BrClN2O2S and a molecular weight of 447.74 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID54783479
Molecular FormulaC19H12BrClN2O2S
Molecular Weight447.74 g/mol
Exact Mass445.95
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H12BrClN2O2S/c20-18-13-4-2-1-3-11(13)5-8-15(18)25-10-17(24)23-19-22-14-7-6-12(21)9-16(14)26-19/h1-9H,10H2,(H,22,23,24)
InChIKeyAWZNABZXBBXXDQ-UHFFFAOYSA-N
XLogP5.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.74
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide 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-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100535229
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
CID 108802384
2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37027363
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732911

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 54783479) is 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc2ccccc2c1Br)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is AWZNABZXBBXXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClN2O2S/c20-18-13-4-2-1-3-11(13)5-8-15(18)25-10-17(24)23-19-22-14-7-6-12(21)9-16(14)26-19/h1-9H,10H2,(H,22,23,24).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 447.74 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 54783479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).