N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide

C21H15FN2O2S — CID 2418726

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H15FN2O2S/c1-26-18-8-4-2-6-16(18)20(25)24(15-12-10-14(22)11-13-15)21-23-17-7-3-5-9-19(17)27-21/h2-13H,1H3
InChIKeyCSGNOXVKFDJRPW-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.42
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide

N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide (PubChem CID 2418726) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide
PubChem CID2418726
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C21H15FN2O2S/c1-26-18-8-4-2-6-16(18)20(25)24(15-12-10-14(22)11-13-15)21-23-17-7-3-5-9-19(17)27-21/h2-13H,1H3
InChIKeyCSGNOXVKFDJRPW-UHFFFAOYSA-N
XLogP5.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
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-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
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-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
2-(1,3-Benzothiazol-2-ylmethoxy)benzamide
CID 7642112
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
Benzamide, N-2-benzothiazolyl-2-hydroxy-
CID 696305
Phathalimide
CID 44452016

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide (CID 2418726) is N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide is COc1ccccc1C(=O)N(c1ccc(F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The InChIKey is CSGNOXVKFDJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-26-18-8-4-2-6-16(18)20(25)24(15-12-10-14(22)11-13-15)21-23-17-7-3-5-9-19(17)27-21/h2-13H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-methoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 5.42, 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)-N-(4-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 2418726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).