N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C22H16FN3O3 — CID 26727992

IUPACN-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H16FN3O3/c23-18-9-2-3-10-19(18)26-21(27)14-29-20-11-4-1-8-17(20)22(28)25-16-7-5-6-15(12-16)13-24/h1-12H,14H2,(H,25,28)(H,26,27)
InChIKeyIWYVKXUJZILVII-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.97
Rot. Bonds6

About N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 26727992) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID26727992
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC NameN-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H16FN3O3/c23-18-9-2-3-10-19(18)26-21(27)14-29-20-11-4-1-8-17(20)22(28)25-16-7-5-6-15(12-16)13-24/h1-12H,14H2,(H,25,28)(H,26,27)
InChIKeyIWYVKXUJZILVII-UHFFFAOYSA-N
XLogP3.97
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
CID 34795688
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 46436775
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 26727992) is N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is N#Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is IWYVKXUJZILVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-18-9-2-3-10-19(18)26-21(27)14-29-20-11-4-1-8-17(20)22(28)25-16-7-5-6-15(12-16)13-24/h1-12H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 26727992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).