2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C25H23FN2O3 — CID 26516196

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cccc2c1CCCC2)Nc1ccccc1F
InChIInChI=1S/C25H23FN2O3/c26-20-12-4-5-13-22(20)27-24(29)16-31-23-15-6-3-11-19(23)25(30)28-21-14-7-9-17-8-1-2-10-18(17)21/h3-7,9,11-15H,1-2,8,10,16H2,(H,27,29)(H,28,30)
InChIKeyYLYPJWNIRZQIDO-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.97
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 26516196) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID26516196
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1cccc2c1CCCC2)Nc1ccccc1F
InChIInChI=1S/C25H23FN2O3/c26-20-12-4-5-13-22(20)27-24(29)16-31-23-15-6-3-11-19(23)25(30)28-21-14-7-9-17-8-1-2-10-18(17)21/h3-7,9,11-15H,1-2,8,10,16H2,(H,27,29)(H,28,30)
InChIKeyYLYPJWNIRZQIDO-UHFFFAOYSA-N
XLogP4.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-propan-2-yl-2-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetyl]amino]benzamide
CID 100502815
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
CID 38277954

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 26516196) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(COc1ccccc1C(=O)Nc1cccc2c1CCCC2)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is YLYPJWNIRZQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-20-12-4-5-13-22(20)27-24(29)16-31-23-15-6-3-11-19(23)25(30)28-21-14-7-9-17-8-1-2-10-18(17)21/h3-7,9,11-15H,1-2,8,10,16H2,(H,27,29)(H,28,30).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 26516196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).