2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C25H25FN2O4 — CID 26457178

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C25H25FN2O4/c1-17-11-12-22(31-2)18(15-17)13-14-27-25(30)19-7-3-6-10-23(19)32-16-24(29)28-21-9-5-4-8-20(21)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFWBUPCDANJRZPU-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.13
Rot. Bonds9

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 26457178) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID26457178
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C25H25FN2O4/c1-17-11-12-22(31-2)18(15-17)13-14-27-25(30)19-7-3-6-10-23(19)32-16-24(29)28-21-9-5-4-8-20(21)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFWBUPCDANJRZPU-UHFFFAOYSA-N
XLogP4.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26695506
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 26457178) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1ccccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is FWBUPCDANJRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-17-11-12-22(31-2)18(15-17)13-14-27-25(30)19-7-3-6-10-23(19)32-16-24(29)28-21-9-5-4-8-20(21)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 436.48 g/mol, XLogP of 4.13, 9 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-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26457178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).