2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C22H27ClFN3O3 — CID 119557947

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(COc1ccccc1C(=O)NCCC1CCCNC1)Nc1ccccc1F
InChIInChI=1S/C22H26FN3O3.ClH/c23-18-8-2-3-9-19(18)26-21(27)15-29-20-10-4-1-7-17(20)22(28)25-13-11-16-6-5-12-24-14-16;/h1-4,7-10,16,24H,5-6,11-15H2,(H,25,28)(H,26,27);1H
InChIKeyYHDJDEOPIMYWRB-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.38
Rot. Bonds8

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119557947) has the molecular formula C22H27ClFN3O3 and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119557947
Molecular FormulaC22H27ClFN3O3
Molecular Weight435.93 g/mol
Exact Mass435.17
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(COc1ccccc1C(=O)NCCC1CCCNC1)Nc1ccccc1F
InChIInChI=1S/C22H26FN3O3.ClH/c23-18-8-2-3-9-19(18)26-21(27)15-29-20-10-4-1-7-17(20)22(28)25-13-11-16-6-5-12-24-14-16;/h1-4,7-10,16,24H,5-6,11-15H2,(H,25,28)(H,26,27);1H
InChIKeyYHDJDEOPIMYWRB-UHFFFAOYSA-N
XLogP3.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462968
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119559291
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119557947) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(COc1ccccc1C(=O)NCCC1CCCNC1)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is YHDJDEOPIMYWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3.ClH/c23-18-8-2-3-9-19(18)26-21(27)15-29-20-10-4-1-7-17(20)22(28)25-13-11-16-6-5-12-24-14-16;/h1-4,7-10,16,24H,5-6,11-15H2,(H,25,28)(H,26,27);1H.
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 435.93 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 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-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119557947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).