N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride

C20H23ClFN3O3 — CID 119579274

IUPACN-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCN1.Cl
InChIInChI=1S/C20H22FN3O3.ClH/c1-14-12-24(11-10-22-14)20(26)15-6-2-5-9-18(15)27-13-19(25)23-17-8-4-3-7-16(17)21;/h2-9,14,22H,10-13H2,1H3,(H,23,25);1H
InChIKeyFUAYCECHHBGLHA-UHFFFAOYSA-N
MW407.87 g/mol
LogP2.70
Rot. Bonds5

About N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride

N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride (PubChem CID 119579274) has the molecular formula C20H23ClFN3O3 and a molecular weight of 407.87 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
PubChem CID119579274
Molecular FormulaC20H23ClFN3O3
Molecular Weight407.87 g/mol
Exact Mass407.14
IUPAC NameN-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
SMILESCC1CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCN1.Cl
InChIInChI=1S/C20H22FN3O3.ClH/c1-14-12-24(11-10-22-14)20(26)15-6-2-5-9-18(15)27-13-19(25)23-17-8-4-3-7-16(17)21;/h2-9,14,22H,10-13H2,1H3,(H,23,25);1H
InChIKeyFUAYCECHHBGLHA-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 120816990
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
N-(2-fluorophenyl)-2-[2-[(2R)-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]phenoxy]acetamide
CID 96534639
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 37281510
N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 38711386
2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119580181
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55780429
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride (CID 119579274) is N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride is CC1CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCN1.Cl.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride?
The InChIKey is FUAYCECHHBGLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3.ClH/c1-14-12-24(11-10-22-14)20(26)15-6-2-5-9-18(15)27-13-19(25)23-17-8-4-3-7-16(17)21;/h2-9,14,22H,10-13H2,1H3,(H,23,25);1H.
What are the key properties of N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride?
N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride has a molecular weight of 407.87 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).