2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C23H18F4N2O4 — CID 34553843

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C23H18F4N2O4/c24-17-9-3-4-10-18(17)29-21(30)14-32-20-12-6-2-8-16(20)22(31)28-13-15-7-1-5-11-19(15)33-23(25,26)27/h1-12H,13-14H2,(H,28,31)(H,29,30)
InChIKeyRWIXAJHHUINXRR-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.67
Rot. Bonds8

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 34553843) has the molecular formula C23H18F4N2O4 and a molecular weight of 462.40 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID34553843
Molecular FormulaC23H18F4N2O4
Molecular Weight462.40 g/mol
Exact Mass462.12
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C23H18F4N2O4/c24-17-9-3-4-10-18(17)29-21(30)14-32-20-12-6-2-8-16(20)22(31)28-13-15-7-1-5-11-19(15)33-23(25,26)27/h1-12H,13-14H2,(H,28,31)(H,29,30)
InChIKeyRWIXAJHHUINXRR-UHFFFAOYSA-N
XLogP4.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 78887246
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761221
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
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
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 56560569
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 34553843) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(COc1ccccc1C(=O)NCc1ccccc1OC(F)(F)F)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is RWIXAJHHUINXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O4/c24-17-9-3-4-10-18(17)29-21(30)14-32-20-12-6-2-8-16(20)22(31)28-13-15-7-1-5-11-19(15)33-23(25,26)27/h1-12H,13-14H2,(H,28,31)(H,29,30).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 462.40 g/mol, XLogP of 4.67, 8 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-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 34553843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).