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

C21H25ClFN3O3 — CID 119462968

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(COc1ccccc1C(=O)NCC1CCCNC1)Nc1ccccc1F
InChIInChI=1S/C21H24FN3O3.ClH/c22-17-8-2-3-9-18(17)25-20(26)14-28-19-10-4-1-7-16(19)21(27)24-13-15-6-5-11-23-12-15;/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,27)(H,25,26);1H
InChIKeyRNNTXOWZBOMMNA-UHFFFAOYSA-N
MW421.90 g/mol
LogP2.99
Rot. Bonds7

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

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462968) has the molecular formula C21H25ClFN3O3 and a molecular weight of 421.90 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462968
Molecular FormulaC21H25ClFN3O3
Molecular Weight421.90 g/mol
Exact Mass421.16
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(COc1ccccc1C(=O)NCC1CCCNC1)Nc1ccccc1F
InChIInChI=1S/C21H24FN3O3.ClH/c22-17-8-2-3-9-18(17)25-20(26)14-28-19-10-4-1-7-16(19)21(27)24-13-15-6-5-11-23-12-15;/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,27)(H,25,26);1H
InChIKeyRNNTXOWZBOMMNA-UHFFFAOYSA-N
XLogP2.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557947
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
CID 119463848
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
N-(2-piperidin-3-ylethyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119559291
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462968) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(COc1ccccc1C(=O)NCC1CCCNC1)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is RNNTXOWZBOMMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3.ClH/c22-17-8-2-3-9-18(17)25-20(26)14-28-19-10-4-1-7-16(19)21(27)24-13-15-6-5-11-23-12-15;/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,27)(H,25,26);1H.
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 421.90 g/mol, XLogP of 2.99, 7 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-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).