3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C16H12ClFN2O2S — CID 1394982

IUPAC3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl
InChIInChI=1S/C16H12ClFN2O2S/c1-2-22-13-6-3-9(7-11(13)17)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyFFEYJNCMSFFGAG-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.74
Rot. Bonds4

About 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1394982) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID1394982
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl
InChIInChI=1S/C16H12ClFN2O2S/c1-2-22-13-6-3-9(7-11(13)17)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyFFEYJNCMSFFGAG-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(1,3-benzothiazol-2-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 145965101
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxybenzothiazole-2-yl)-2-(3-chlorophenyl)acetamide
CID 77106871
N-(6-trifluoromethoxybenzothiazole-2-yl)-2-(3-chlorophenyl)acetamide
CID 77106872
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylmethoxybenzamide
CID 117948108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 1394982) is 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FFEYJNCMSFFGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c1-2-22-13-6-3-9(7-11(13)17)15(21)20-16-19-12-5-4-10(18)8-14(12)23-16/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 350.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1394982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).