N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C22H19FN2O3 — CID 1182077

IUPACN-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-19-8-4-5-9-20(19)25-21(26)15-28-18-12-10-17(11-13-18)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyGLDCMYOFCYTJGZ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.77
Rot. Bonds7

About N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 1182077) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID1182077
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-19-8-4-5-9-20(19)25-21(26)15-28-18-12-10-17(11-13-18)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyGLDCMYOFCYTJGZ-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28639925
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]-N-(2-phenylethyl)benzamide
CID 1194588
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
(3S)-N-benzyl-1-[4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124583940
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 1182077) is N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1F.
What is the InChIKey of N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is GLDCMYOFCYTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-19-8-4-5-9-20(19)25-21(26)15-28-18-12-10-17(11-13-18)22(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 378.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 1182077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).