N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide

C20H12F2N2OS — CID 26173797

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H12F2N2OS/c21-13-7-10-15(16(22)11-13)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)
InChIKeyIDZISIJRGKKWBZ-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.49
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide (PubChem CID 26173797) has the molecular formula C20H12F2N2OS and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
PubChem CID26173797
Molecular FormulaC20H12F2N2OS
Molecular Weight366.39 g/mol
Exact Mass366.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H12F2N2OS/c21-13-7-10-15(16(22)11-13)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)
InChIKeyIDZISIJRGKKWBZ-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
CID 2277461
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6139011
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 1103996
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2,3,4,5-tetrafluorobenzamide
CID 112772707
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)urea
CID 46381228
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 1017691
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55966907
(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42278690
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide (CID 26173797) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide?
The InChIKey is IDZISIJRGKKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2OS/c21-13-7-10-15(16(22)11-13)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide has a molecular weight of 366.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 26173797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).