2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide

C21H19FN2O3S — CID 33261900

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O3S/c1-14-10-11-28-19(14)12-23-21(26)15-6-2-5-9-18(15)27-13-20(25)24-17-8-4-3-7-16(17)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyQPYYJIWMFQJDMJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.14
Rot. Bonds7

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 33261900) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID33261900
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN2O3S/c1-14-10-11-28-19(14)12-23-21(26)15-6-2-5-9-18(15)27-13-20(25)24-17-8-4-3-7-16(17)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyQPYYJIWMFQJDMJ-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553843
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55797062
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 33261900) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is QPYYJIWMFQJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-10-11-28-19(14)12-23-21(26)15-6-2-5-9-18(15)27-13-20(25)24-17-8-4-3-7-16(17)22/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 33261900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).