2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide

C26H26FN3O3 — CID 26289744

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C26H26FN3O3/c27-22-9-3-4-10-23(22)29-25(31)18-33-24-11-5-2-8-21(24)26(32)28-19-12-14-20(15-13-19)30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-18H2,(H,28,32)(H,29,31)
InChIKeyCUMRJJAFZRBVPE-UHFFFAOYSA-N
MW447.51 g/mol
LogP5.09
Rot. Bonds7

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 26289744) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID26289744
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C26H26FN3O3/c27-22-9-3-4-10-23(22)29-25(31)18-33-24-11-5-2-8-21(24)26(32)28-19-12-14-20(15-13-19)30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-18H2,(H,28,32)(H,29,31)
InChIKeyCUMRJJAFZRBVPE-UHFFFAOYSA-N
XLogP5.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 46436775
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
CID 67124692
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46665023
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-(2-fluoro-5-piperidin-1-ylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110362257
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide (CID 26289744) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide is O=C(COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is CUMRJJAFZRBVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c27-22-9-3-4-10-23(22)29-25(31)18-33-24-11-5-2-8-21(24)26(32)28-19-12-14-20(15-13-19)30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-18H2,(H,28,32)(H,29,31).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 447.51 g/mol, XLogP of 5.09, 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-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 26289744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).