N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C19H23Cl2FN4O — CID 120755989

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C19H22ClFN4O.ClH/c1-24(12-15-16(20)5-2-6-17(15)21)19(26)13-25-9-8-23-11-18(25)14-4-3-7-22-10-14;/h2-7,10,18,23H,8-9,11-13H2,1H3;1H
InChIKeyHUHJPLXDSBLRCX-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.90
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755989) has the molecular formula C19H23Cl2FN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755989
Molecular FormulaC19H23Cl2FN4O
Molecular Weight413.32 g/mol
Exact Mass412.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C19H22ClFN4O.ClH/c1-24(12-15-16(20)5-2-6-17(15)21)19(26)13-25-9-8-23-11-18(25)14-4-3-7-22-10-14;/h2-7,10,18,23H,8-9,11-13H2,1H3;1H
InChIKeyHUHJPLXDSBLRCX-UHFFFAOYSA-N
XLogP2.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755770
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-[1-(4-chlorophenyl)propyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754885
N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756417
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754631
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755989) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is CN(Cc1c(F)cccc1Cl)C(=O)CN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is HUHJPLXDSBLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O.ClH/c1-24(12-15-16(20)5-2-6-17(15)21)19(26)13-25-9-8-23-11-18(25)14-4-3-7-22-10-14;/h2-7,10,18,23H,8-9,11-13H2,1H3;1H.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 413.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).