N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide

C22H17FN2O2S — CID 2664380

IUPACN-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C22H17FN2O2S/c1-14-11-12-19(27-2)18(13-14)25(21(26)15-7-3-4-8-16(15)23)22-24-17-9-5-6-10-20(17)28-22/h3-13H,1-2H3
InChIKeyRNVFZESSWKGJFG-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.73
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 2664380) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID2664380
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1N(C(=O)c1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C22H17FN2O2S/c1-14-11-12-19(27-2)18(13-14)25(21(26)15-7-3-4-8-16(15)23)22-24-17-9-5-6-10-20(17)28-22/h3-13H,1-2H3
InChIKeyRNVFZESSWKGJFG-UHFFFAOYSA-N
XLogP5.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide (CID 2664380) is N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1N(C(=O)c1ccccc1F)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is RNVFZESSWKGJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-14-11-12-19(27-2)18(13-14)25(21(26)15-7-3-4-8-16(15)23)22-24-17-9-5-6-10-20(17)28-22/h3-13H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-fluoro-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 2664380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).