N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide

C20H13FN2OS — CID 162385471

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C20H13FN2OS/c21-14-10-11-16(22-19(24)13-6-2-1-3-7-13)15(12-14)20-23-17-8-4-5-9-18(17)25-20/h1-12H,(H,22,24)
InChIKeyMOHVPCXGWHRZCN-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.35
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide

N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide (PubChem CID 162385471) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
PubChem CID162385471
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C20H13FN2OS/c21-14-10-11-16(22-19(24)13-6-2-1-3-7-13)15(12-14)20-23-17-8-4-5-9-18(17)25-20/h1-12H,(H,22,24)
InChIKeyMOHVPCXGWHRZCN-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-4-(trifluoromethyl)benzamide
CID 162385461
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]benzamide
CID 4210852
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
4-amino-N-[4-[(4-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5068021
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
3-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453520
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
N-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-4-methylbenzamide
CID 170058376
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide (CID 162385471) is N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide is O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide?
The InChIKey is MOHVPCXGWHRZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-14-10-11-16(22-19(24)13-6-2-1-3-7-13)15(12-14)20-23-17-8-4-5-9-18(17)25-20/h1-12H,(H,22,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide?
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide is sourced from PubChem (CID 162385471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).