N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C23H20ClFN2O3 — CID 112761405

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-15(16-10-12-17(24)13-11-16)26-23(29)18-6-2-5-9-21(18)30-14-22(28)27-20-8-4-3-7-19(20)25/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyANAVJUMWOXJOQE-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.99
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 112761405) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID112761405
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-15(16-10-12-17(24)13-11-16)26-23(29)18-6-2-5-9-21(18)30-14-22(28)27-20-8-4-3-7-19(20)25/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyANAVJUMWOXJOQE-UHFFFAOYSA-N
XLogP4.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55894394
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 112761405) is N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is CC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is ANAVJUMWOXJOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-15(16-10-12-17(24)13-11-16)26-23(29)18-6-2-5-9-21(18)30-14-22(28)27-20-8-4-3-7-19(20)25/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 426.88 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 112761405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).