2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

C27H26FN3O5 — CID 46436775

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)Nc1ccccc1F
InChIInChI=1S/C27H26FN3O5/c28-22-11-2-3-12-23(22)30-25(32)17-36-24-13-4-1-10-21(24)27(34)29-19-8-7-9-20(16-19)35-18-26(33)31-14-5-6-15-31/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,29,34)(H,30,32)
InChIKeyJWSGDEAEDFLIKR-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.10
Rot. Bonds9

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (PubChem CID 46436775) has the molecular formula C27H26FN3O5 and a molecular weight of 491.52 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
PubChem CID46436775
Molecular FormulaC27H26FN3O5
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)Nc1ccccc1F
InChIInChI=1S/C27H26FN3O5/c28-22-11-2-3-12-23(22)30-25(32)17-36-24-13-4-1-10-21(24)27(34)29-19-8-7-9-20(16-19)35-18-26(33)31-14-5-6-15-31/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,29,34)(H,30,32)
InChIKeyJWSGDEAEDFLIKR-UHFFFAOYSA-N
XLogP4.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 34802754
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-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46665023
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516196
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (CID 46436775) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is O=C(COc1ccccc1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is JWSGDEAEDFLIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O5/c28-22-11-2-3-12-23(22)30-25(32)17-36-24-13-4-1-10-21(24)27(34)29-19-8-7-9-20(16-19)35-18-26(33)31-14-5-6-15-31/h1-4,7-13,16H,5-6,14-15,17-18H2,(H,29,34)(H,30,32).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 491.52 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 46436775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).