2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide

C21H11Cl2F3N2O2S — CID 14441731

IUPAC2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2s1)c1ccccc1Cl
InChIInChI=1S/C21H11Cl2F3N2O2S/c22-14-4-2-1-3-13(14)19(29)28-20-27-16-7-6-12(10-18(16)31-20)30-17-8-5-11(9-15(17)23)21(24,25)26/h1-10H,(H,27,28,29)
InChIKeyAWQOOHDNMLFESG-UHFFFAOYSA-N
MW483.30 g/mol
LogP7.67
Rot. Bonds4

About 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide

2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 14441731) has the molecular formula C21H11Cl2F3N2O2S and a molecular weight of 483.30 g/mol. Its IUPAC name is 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide
PubChem CID14441731
Molecular FormulaC21H11Cl2F3N2O2S
Molecular Weight483.30 g/mol
Exact Mass481.99
IUPAC Name2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2s1)c1ccccc1Cl
InChIInChI=1S/C21H11Cl2F3N2O2S/c22-14-4-2-1-3-13(14)19(29)28-20-27-16-7-6-12(10-18(16)31-20)30-17-8-5-11(9-15(17)23)21(24,25)26/h1-10H,(H,27,28,29)
InChIKeyAWQOOHDNMLFESG-UHFFFAOYSA-N
XLogP7.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.30
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 14441724
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
1-(1,3-benzothiazol-2-yl)-3-[2-chloro-4-(trifluoromethyl)phenyl]urea
CID 127029991
4-[[2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 127046492
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
methyl 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]amino]benzoate
CID 12912620
3-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86655380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide (CID 14441731) is 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide is O=C(Nc1nc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is AWQOOHDNMLFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F3N2O2S/c22-14-4-2-1-3-13(14)19(29)28-20-27-16-7-6-12(10-18(16)31-20)30-17-8-5-11(9-15(17)23)21(24,25)26/h1-10H,(H,27,28,29).
What are the key properties of 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide?
2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 483.30 g/mol, XLogP of 7.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 14441731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).