N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide

C21H16FN3O2S — CID 55956042

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C21H16FN3O2S/c22-19-12-16(6-7-20(19)25-9-8-23-14-25)24-21(26)15-3-1-4-17(11-15)27-13-18-5-2-10-28-18/h1-12,14H,13H2,(H,24,26)
InChIKeyZLFNRQYYPSYKHV-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.90
Rot. Bonds6

About N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 55956042) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID55956042
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C21H16FN3O2S/c22-19-12-16(6-7-20(19)25-9-8-23-14-25)24-21(26)15-3-1-4-17(11-15)27-13-18-5-2-10-28-18/h1-12,14H,13H2,(H,24,26)
InChIKeyZLFNRQYYPSYKHV-UHFFFAOYSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55956808
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55879396
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 60557245
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methoxybenzamide
CID 47049179
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide (CID 55956042) is N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc(OCc2cccs2)c1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is ZLFNRQYYPSYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-19-12-16(6-7-20(19)25-9-8-23-14-25)24-21(26)15-3-1-4-17(11-15)27-13-18-5-2-10-28-18/h1-12,14H,13H2,(H,24,26).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 55956042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).